3-carbamoyl-1-methylpyrazole-4-carboxylic acid

C6H7N3O3 — CID 19623313

IUPAC3-carbamoyl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C6H7N3O3/c1-9-2-3(6(11)12)4(8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12)
InChIKeyODAZJONFJMSTSQ-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.78
Rot. Bonds2

About 3-carbamoyl-1-methylpyrazole-4-carboxylic acid

3-carbamoyl-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623313) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-carbamoyl-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-1-methylpyrazole-4-carboxylic acid
PubChem CID19623313
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name3-carbamoyl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C6H7N3O3/c1-9-2-3(6(11)12)4(8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12)
InChIKeyODAZJONFJMSTSQ-UHFFFAOYSA-N
XLogP-0.78
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
1-methyl-4-phenylpyrazole-3-carboxamide
CID 71145159
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
4-butan-2-yl-1-methylpyrazole-3-carboxamide
CID 134178131
3-formyl-1-methylpyrazole-4-carboxylic acid
CID 57445628
ethane;1-methyl-4-nitropyrazole-3-carboxamide
CID 145224461
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide
CID 122445374
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-carbamoyl-1-methylpyrazole-4-carboxylic acid (CID 19623313) is 3-carbamoyl-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-carbamoyl-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(C(N)=O)n1.
What is the InChIKey of 3-carbamoyl-1-methylpyrazole-4-carboxylic acid?
The InChIKey is ODAZJONFJMSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-2-3(6(11)12)4(8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12).
What are the key properties of 3-carbamoyl-1-methylpyrazole-4-carboxylic acid?
3-carbamoyl-1-methylpyrazole-4-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).