4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide

C16H20N4O4 — CID 19412187

IUPAC4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cnn(C)c2C(N)=O)cc1OCC
InChIInChI=1S/C16H20N4O4/c1-4-23-12-7-6-10(8-13(12)24-5-2)16(22)19-11-9-18-20(3)14(11)15(17)21/h6-9H,4-5H2,1-3H3,(H2,17,21)(H,19,22)
InChIKeyJXFBMYMVGICXCD-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.57
Rot. Bonds7

About 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide

4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412187) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412187
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cnn(C)c2C(N)=O)cc1OCC
InChIInChI=1S/C16H20N4O4/c1-4-23-12-7-6-10(8-13(12)24-5-2)16(22)19-11-9-18-20(3)14(11)15(17)21/h6-9H,4-5H2,1-3H3,(H2,17,21)(H,19,22)
InChIKeyJXFBMYMVGICXCD-UHFFFAOYSA-N
XLogP1.57
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide
CID 75397296
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide (CID 19412187) is 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide is CCOc1ccc(C(=O)Nc2cnn(C)c2C(N)=O)cc1OCC.
What is the InChIKey of 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is JXFBMYMVGICXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-4-23-12-7-6-10(8-13(12)24-5-2)16(22)19-11-9-18-20(3)14(11)15(17)21/h6-9H,4-5H2,1-3H3,(H2,17,21)(H,19,22).
What are the key properties of 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).