N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride

C15H19ClN4O — CID 119617682

IUPACN-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H18N4O.ClH/c16-10-14(11-6-7-11)17-15(20)13-8-9-19(18-13)12-4-2-1-3-5-12;/h1-5,8-9,11,14H,6-7,10,16H2,(H,17,20);1H
InChIKeyXPRAJUNZQHKKSY-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.76
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119617682) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
PubChem CID119617682
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H18N4O.ClH/c16-10-14(11-6-7-11)17-15(20)13-8-9-19(18-13)12-4-2-1-3-5-12;/h1-5,8-9,11,14H,6-7,10,16H2,(H,17,20);1H
InChIKeyXPRAJUNZQHKKSY-UHFFFAOYSA-N
XLogP1.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119617805
N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
CID 95787088
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 119590853
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119612944
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride (CID 119617682) is N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccn(-c2ccccc2)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is XPRAJUNZQHKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c16-10-14(11-6-7-11)17-15(20)13-8-9-19(18-13)12-4-2-1-3-5-12;/h1-5,8-9,11,14H,6-7,10,16H2,(H,17,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119617682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).