1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide

C22H24N4O2 — CID 9301580

IUPAC1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-16(2)24-20(27)13-23-22(28)19-15-26(14-17-9-5-3-6-10-17)25-21(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyKYIKIOJPMMSVAS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.85
Rot. Bonds7

About 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide

1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 9301580) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID9301580
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-16(2)24-20(27)13-23-22(28)19-15-26(14-17-9-5-3-6-10-17)25-21(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyKYIKIOJPMMSVAS-UHFFFAOYSA-N
XLogP2.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
1-benzyl-3-phenyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]pyrazole-4-carboxamide
CID 96504113
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide (CID 9301580) is 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide is CC(C)NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is KYIKIOJPMMSVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)24-20(27)13-23-22(28)19-15-26(14-17-9-5-3-6-10-17)25-21(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9301580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).