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

C11H13N5O3 — CID 19494189

IUPAC5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1c(NC(=O)c2c(C(=O)O)cnn2C)cnn1C
InChIInChI=1S/C11H13N5O3/c1-6-8(5-13-15(6)2)14-10(17)9-7(11(18)19)4-12-16(9)3/h4-5H,1-3H3,(H,14,17)(H,18,19)
InChIKeyMVCYIYJEDIDNCK-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.41
Rot. Bonds3

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

5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19494189) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19494189
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1c(NC(=O)c2c(C(=O)O)cnn2C)cnn1C
InChIInChI=1S/C11H13N5O3/c1-6-8(5-13-15(6)2)14-10(17)9-7(11(18)19)4-12-16(9)3/h4-5H,1-3H3,(H,14,17)(H,18,19)
InChIKeyMVCYIYJEDIDNCK-UHFFFAOYSA-N
XLogP0.41
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 25248036
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
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
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19494189) is 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1c(NC(=O)c2c(C(=O)O)cnn2C)cnn1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is MVCYIYJEDIDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6-8(5-13-15(6)2)14-10(17)9-7(11(18)19)4-12-16(9)3/h4-5H,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19494189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).