1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine - CAS 936940-47-5
Catalog: |
BB041029 |
Product Name: |
1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine |
CAS: |
936940-47-5 |
Synonyms: |
2-cyclopentyl-4-methylpyrazol-3-amine |
IUPAC Name: | 2-cyclopentyl-4-methylpyrazol-3-amine |
Description: | 1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine (CAS# 936940-47-5) is a useful research chemical. |
Molecular Weight: | 165.24 |
Molecular Formula: | C9H15N3 |
Canonical SMILES: | CC1=C(N(N=C1)C2CCCC2)N |
InChI: | InChI=1S/C9H15N3/c1-7-6-11-12(9(7)10)8-4-2-3-5-8/h6,8H,2-5,10H2,1H3 |
InChI Key: | BFFFJOQCUYPKGU-UHFFFAOYSA-N |
Boiling Point: | 323.5 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
LogP: | 2.47000 |
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 |
EP-3110818-A1 | 9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors | 20140228 |
EP-3110818-B1 | 9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors | 20140228 |
JP-2017511801-A | 9H-pyrimido [4,5-b] indoles and related analogs as BET bromodomain inhibitors | 20140228 |
US-10253044-B2 | 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors | 20140228 |
US-2015246923-A1 | 9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors | 20140228 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.126597491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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