4-(Boc-aminomethyl)pyrazole - CAS 1107620-72-3
Catalog: |
BB002668 |
Product Name: |
4-(Boc-aminomethyl)pyrazole |
CAS: |
1107620-72-3 |
Synonyms: |
N-(1H-pyrazol-4-ylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate |
IUPAC Name: | tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate |
Description: | 4-(Boc-aminomethyl)pyrazole (CAS# 1107620-72-3 ) is a useful research chemical. |
Molecular Weight: | 197.23 |
Molecular Formula: | C9H15N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CNN=C1 |
InChI: | InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12) |
InChI Key: | QHQQGFZVUMTRDH-UHFFFAOYSA-N |
MDL: | MFCD12820298 |
LogP: | 1.82530 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021173721-A1 | Selective androgen receptor degrader (sard) ligands and methods of use thereof | 20200225 |
TW-202010744-A | Pteridinone compounds and uses thereof | 20180424 |
US-2019322673-A1 | Pteridinone compounds and uses thereof | 20180424 |
WO-2019209757-A1 | Pteridinone compounds and uses thereof | 20180424 |
AU-2019257651-A1 | Pteridinone compounds and uses thereof | 20180424 |
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: | 0.7 |
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