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

C22H24N4O2 — CID 30604207

IUPAC1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCC(=O)NC(C)C)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)24-20(27)13-23-22(28)19-14-26(18-11-9-16(3)10-12-18)25-21(19)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyNJKJRZQJRZITRM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds6

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

1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 30604207) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID30604207
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCC(=O)NC(C)C)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)24-20(27)13-23-22(28)19-14-26(18-11-9-16(3)10-12-18)25-21(19)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyNJKJRZQJRZITRM-UHFFFAOYSA-N
XLogP3.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
methyl 2-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 27682175
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide (CID 30604207) is 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCC(=O)NC(C)C)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is NJKJRZQJRZITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)24-20(27)13-23-22(28)19-14-26(18-11-9-16(3)10-12-18)25-21(19)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide?
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 30604207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).