4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide

C15H18N4O2 — CID 19412582

IUPAC4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(C)c2)c(C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-4-19-8-12(13(18-19)14(16)20)17-15(21)11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyGRJVEXKAIPJMDI-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.87
Rot. Bonds4

About 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide

4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19412582) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19412582
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(C)c2)c(C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-4-19-8-12(13(18-19)14(16)20)17-15(21)11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H2,16,20)(H,17,21)
InChIKeyGRJVEXKAIPJMDI-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
CID 17283410
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412600
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410856
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
4-[(4-chloro-3-nitrobenzoyl)amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410898
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide (CID 19412582) is 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(C)c(C)c2)c(C(N)=O)n1.
What is the InChIKey of 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is GRJVEXKAIPJMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-19-8-12(13(18-19)14(16)20)17-15(21)11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H2,16,20)(H,17,21).
What are the key properties of 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19412582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).