N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride

C17H23ClN4O — CID 119573908

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-15(20-21(12)14-6-4-3-5-7-14)16(22)19-17(2,11-18)13-8-9-13;/h3-7,10,13H,8-9,11,18H2,1-2H3,(H,19,22);1H
InChIKeyGZQSVSCWAMDJAC-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.46
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119573908) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
PubChem CID119573908
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-10-15(20-21(12)14-6-4-3-5-7-14)16(22)19-17(2,11-18)13-8-9-13;/h3-7,10,13H,8-9,11,18H2,1-2H3,(H,19,22);1H
InChIKeyGZQSVSCWAMDJAC-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
CID 81486982
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119576000
N-(1-amino-2-cyclopropylpropan-2-yl)quinoxaline-2-carboxamide;dihydrochloride
CID 119572354
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride (CID 119573908) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC(C)(CN)C2CC2)nn1-c1ccccc1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is GZQSVSCWAMDJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-10-15(20-21(12)14-6-4-3-5-7-14)16(22)19-17(2,11-18)13-8-9-13;/h3-7,10,13H,8-9,11,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119573908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).