4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

C11H12N6O4 — CID 19496258

IUPAC4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2cnn(C)c2C(=O)O)c1C(N)=O
InChIInChI=1S/C11H12N6O4/c1-16-7(11(20)21)5(3-13-16)10(19)15-6-4-14-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,15,19)(H,20,21)
InChIKeyZEPFFBCAUYXAKJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.80
Rot. Bonds4

About 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19496258) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID19496258
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2cnn(C)c2C(=O)O)c1C(N)=O
InChIInChI=1S/C11H12N6O4/c1-16-7(11(20)21)5(3-13-16)10(19)15-6-4-14-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,15,19)(H,20,21)
InChIKeyZEPFFBCAUYXAKJ-UHFFFAOYSA-N
XLogP-0.80
TPSA145.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (CID 19496258) is 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)c2cnn(C)c2C(=O)O)c1C(N)=O.
What is the InChIKey of 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is ZEPFFBCAUYXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-16-7(11(20)21)5(3-13-16)10(19)15-6-4-14-17(2)8(6)9(12)18/h3-4H,1-2H3,(H2,12,18)(H,15,19)(H,20,21).
What are the key properties of 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19496258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).