N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide

C23H22N4O3 — CID 26059043

IUPACN-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H22N4O3/c1-14-20(15(2)27(26-14)19-6-4-3-5-7-19)21(28)23(30)25-18-12-10-17(11-13-18)24-22(29)16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyFGBNQWPHNQFNGL-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 26059043) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID26059043
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H22N4O3/c1-14-20(15(2)27(26-14)19-6-4-3-5-7-19)21(28)23(30)25-18-12-10-17(11-13-18)24-22(29)16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyFGBNQWPHNQFNGL-UHFFFAOYSA-N
XLogP3.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46492518
N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 46449018
N-(4-cyclopentyloxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 46570793
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(6-phenylmethoxy-3-pyridinyl)acetamide
CID 55879441
N-[5-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 139005653
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
CID 26124459
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
N-[4-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 55916937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 18227715
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide (CID 26059043) is N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is FGBNQWPHNQFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-20(15(2)27(26-14)19-6-4-3-5-7-19)21(28)23(30)25-18-12-10-17(11-13-18)24-22(29)16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26059043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).