5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid

C12H9N5O3 — CID 110481950

IUPAC5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H9N5O3/c18-11(14-10-7(12(19)20)5-13-17-10)9-6-3-1-2-4-8(6)15-16-9/h1-5H,(H,15,16)(H,19,20)(H2,13,14,17,18)
InChIKeyMNVYHTOTYIIDGQ-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.24
Rot. Bonds3

About 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid

5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 110481950) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID110481950
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H9N5O3/c18-11(14-10-7(12(19)20)5-13-17-10)9-6-3-1-2-4-8(6)15-16-9/h1-5H,(H,15,16)(H,19,20)(H2,13,14,17,18)
InChIKeyMNVYHTOTYIIDGQ-UHFFFAOYSA-N
XLogP1.24
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-(1,2-oxazol-3-yl)-1H-indazole-3-carboxamide
CID 64983195
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858293
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
3-(1H-indazole-3-carbonylamino)-4-methylthiophene-2-carboxylic acid
CID 114914987
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid (CID 110481950) is 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is MNVYHTOTYIIDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c18-11(14-10-7(12(19)20)5-13-17-10)9-6-3-1-2-4-8(6)15-16-9/h1-5H,(H,15,16)(H,19,20)(H2,13,14,17,18).
What are the key properties of 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid?
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110481950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).