4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

C19H22N6O4 — CID 19336622

IUPAC4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C19H22N6O4/c1-11-15(9-20-24(11)2)22-19(27)17-16(10-21-25(17)3)23-18(26)12-6-13(28-4)8-14(7-12)29-5/h6-10H,1-5H3,(H,22,27)(H,23,26)
InChIKeyRJGWZXDKIRLSKK-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.98
Rot. Bonds6

About 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 19336622) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
PubChem CID19336622
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C19H22N6O4/c1-11-15(9-20-24(11)2)22-19(27)17-16(10-21-25(17)3)23-18(26)12-6-13(28-4)8-14(7-12)29-5/h6-10H,1-5H3,(H,22,27)(H,23,26)
InChIKeyRJGWZXDKIRLSKK-UHFFFAOYSA-N
XLogP1.98
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
2-[4-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504744
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336598
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(4-methyl-3-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19336553
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19336564
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
N-(1,5-dimethylpyrazol-4-yl)-4-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]-1-methylpyrazole-5-carboxamide
CID 17022672
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (CID 19336622) is 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is COc1cc(OC)cc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1.
What is the InChIKey of 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RJGWZXDKIRLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-11-15(9-20-24(11)2)22-19(27)17-16(10-21-25(17)3)23-18(26)12-6-13(28-4)8-14(7-12)29-5/h6-10H,1-5H3,(H,22,27)(H,23,26).
What are the key properties of 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19336622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).