N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide

C19H24N4O2 — CID 95787088

IUPACN-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H24N4O2/c20-18(24)13-17(14-7-3-1-4-8-14)21-19(25)16-11-12-23(22-16)15-9-5-2-6-10-15/h2,5-6,9-12,14,17H,1,3-4,7-8,13H2,(H2,20,24)(H,21,25)/t17-/m1/s1
InChIKeyFUKUZIZDMQMGMR-QGZVFWFLSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds6

About N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide

N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 95787088) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
PubChem CID95787088
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C19H24N4O2/c20-18(24)13-17(14-7-3-1-4-8-14)21-19(25)16-11-12-23(22-16)15-9-5-2-6-10-15/h2,5-6,9-12,14,17H,1,3-4,7-8,13H2,(H2,20,24)(H,21,25)/t17-/m1/s1
InChIKeyFUKUZIZDMQMGMR-QGZVFWFLSA-N
XLogP2.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 119590853
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
(5R)-N-[(1S)-3-amino-1-cyclohexyl-3-oxopropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95787080
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide (CID 95787088) is N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide is NC(=O)C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is FUKUZIZDMQMGMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-18(24)13-17(14-7-3-1-4-8-14)21-19(25)16-11-12-23(22-16)15-9-5-2-6-10-15/h2,5-6,9-12,14,17H,1,3-4,7-8,13H2,(H2,20,24)(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide?
N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 95787088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).