1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide

C21H22N4O2 — CID 19404606

IUPAC1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCc2ccccc2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-2-25-15-18(23-19(26)14-13-16-9-5-3-6-10-16)20(24-25)21(27)22-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,22,27)(H,23,26)
InChIKeyLFKUMTUPVYIENP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.73
Rot. Bonds7

About 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide

1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide (PubChem CID 19404606) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
PubChem CID19404606
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCc2ccccc2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-2-25-15-18(23-19(26)14-13-16-9-5-3-6-10-16)20(24-25)21(27)22-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,22,27)(H,23,26)
InChIKeyLFKUMTUPVYIENP-UHFFFAOYSA-N
XLogP3.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485720
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 88945714
1-ethyl-4-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19404728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide (CID 19404606) is 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide is CCn1cc(NC(=O)CCc2ccccc2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The InChIKey is LFKUMTUPVYIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-25-15-18(23-19(26)14-13-16-9-5-3-6-10-16)20(24-25)21(27)22-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 19404606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).