N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride

C14H25ClN4O — CID 119597806

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-9(2)7-14(3,8-15)16-13(19)12-6-11(17-18-12)10-4-5-10;/h6,9-10H,4-5,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyVRVFKZXVUTYMEO-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.20
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119597806) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119597806
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-9(2)7-14(3,8-15)16-13(19)12-6-11(17-18-12)10-4-5-10;/h6,9-10H,4-5,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyVRVFKZXVUTYMEO-UHFFFAOYSA-N
XLogP2.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119597806) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cc(C2CC2)[nH]n1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VRVFKZXVUTYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-9(2)7-14(3,8-15)16-13(19)12-6-11(17-18-12)10-4-5-10;/h6,9-10H,4-5,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119597806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).