N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide

C22H21N3O3 — CID 75467763

IUPACN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-19(15-8-9-15)24-25(17-6-4-3-5-7-17)21(14)23-22(27)20(26)16-10-12-18(28-2)13-11-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,23,27)
InChIKeyPPXYMNUEUSCEMC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.89
Rot. Bonds6

About N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide

N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 75467763) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID75467763
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-19(15-8-9-15)24-25(17-6-4-3-5-7-17)21(14)23-22(27)20(26)16-10-12-18(28-2)13-11-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,23,27)
InChIKeyPPXYMNUEUSCEMC-UHFFFAOYSA-N
XLogP3.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
CID 75468818
trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 97315585
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-(methoxymethyl)benzamide
CID 75467449
4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
CID 71845529
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 56786256
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-1-(4-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820244
[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
CID 123257754
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
tert-butyl 4-[4-methyl-1-phenyl-5-(2,2,2-trichloroethoxycarbonylamino)pyrazol-3-yl]piperidine-1-carboxylate
CID 90155913
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 19588745

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide (CID 75467763) is N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(C(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is PPXYMNUEUSCEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-19(15-8-9-15)24-25(17-6-4-3-5-7-17)21(14)23-22(27)20(26)16-10-12-18(28-2)13-11-16/h3-7,10-13,15H,8-9H2,1-2H3,(H,23,27).
What are the key properties of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide?
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 375.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 75467763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).