1-Isobutylpyrazol-4-amine - CAS 405548-42-7
Catalog: |
BB024562 |
Product Name: |
1-Isobutylpyrazol-4-amine |
CAS: |
405548-42-7 |
Synonyms: |
1-(2-methylpropyl)-4-pyrazolamine; 1-(2-methylpropyl)pyrazol-4-amine |
IUPAC Name: | 1-(2-methylpropyl)pyrazol-4-amine |
Description: | 1-Isobutylpyrazol-4-amine (CAS# 405548-42-7) is a useful research chemical. |
Molecular Weight: | 139.20 |
Molecular Formula: | C7H13N3 |
Canonical SMILES: | CC(C)CN1C=C(C=N1)N |
InChI: | InChI=1S/C7H13N3/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4,8H2,1-2H3 |
InChI Key: | SGUQYNMBZJPCLA-UHFFFAOYSA-N |
MDL: | MFCD11128192 |
LogP: | 1.70250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
WO-2020219168-A1 | Small molecule bromodomain inhibitors and uses thereof | 20190424 |
AU-2018394996-A1 | Amino-methyl piperidine derivative as kinase inhibitor | 20171228 |
KR-20190080541-A | Amino-methylpiperidine derivatives as kinase inhibitor | 20171228 |
WO-2019132561-A1 | Amino-methyl piperidine derivative as kinase inhibitor | 20171228 |
AU-2018394996-A2 | Amino-methyl piperidine derivative as kinase inhibitor | 20171228 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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