4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

C21H22N4O2 — CID 19404759

IUPAC4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-4-25-13-18(23-20(26)17-11-10-14(2)12-15(17)3)19(24-25)21(27)22-16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDRCWQQSHHYMEDW-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.02
Rot. Bonds5

About 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (PubChem CID 19404759) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
PubChem CID19404759
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-4-25-13-18(23-20(26)17-11-10-14(2)12-15(17)3)19(24-25)21(27)22-16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDRCWQQSHHYMEDW-UHFFFAOYSA-N
XLogP4.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19270655
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
3-(1-adamantyl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19473825
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (CID 19404759) is 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is DRCWQQSHHYMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-25-13-18(23-20(26)17-11-10-14(2)12-15(17)3)19(24-25)21(27)22-16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19404759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).