3-(Boc-aminomethyl)pyrazole - CAS 1251033-82-5
Catalog: |
BB006071 |
Product Name: |
3-(Boc-aminomethyl)pyrazole |
CAS: |
1251033-82-5 |
Synonyms: |
N-(1H-pyrazol-5-ylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate |
IUPAC Name: | tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate |
Description: | 3-(Boc-aminomethyl)pyrazole (CAS# 1251033-82-5 ) is a useful research chemical. |
Molecular Weight: | 197.23 |
Molecular Formula: | C9H15N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=NN1 |
InChI: | InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12) |
InChI Key: | JXNFVHMWICVPPJ-UHFFFAOYSA-N |
LogP: | 1.63880 |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3038221-A1 | Heterocyclic compounds and their use in preventing or treating bacterial infections | 20160930 |
KR-20190065326-A | Heterocyclic compounds and their use for the prevention or treatment of bacterial infections | 20160930 |
US-2019224210-A1 | Heterocyclic compounds and their use in preventing or treating bacterial infections | 20160930 |
WO-2018060481-A1 | Heterocyclic compounds and their use in preventing or treating bacterial infections | 20160930 |
US-10722520-B2 | Heterocyclic compounds and their use in preventing or treating bacterial infections | 20160930 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.116426730 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.116426730 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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