5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid

C13H10N4O3 — CID 110481756

IUPAC5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(Nc1[nH]ncc1C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H10N4O3/c18-12(16-11-8(13(19)20)6-14-17-11)10-5-7-3-1-2-4-9(7)15-10/h1-6,15H,(H,19,20)(H2,14,16,17,18)
InChIKeyWNVXSEWRBOPORJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.84
Rot. Bonds3

About 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid

5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 110481756) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID110481756
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
SMILESO=C(Nc1[nH]ncc1C(=O)O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H10N4O3/c18-12(16-11-8(13(19)20)6-14-17-11)10-5-7-3-1-2-4-9(7)15-10/h1-6,15H,(H,19,20)(H2,14,16,17,18)
InChIKeyWNVXSEWRBOPORJ-UHFFFAOYSA-N
XLogP1.84
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoyl-1H-pyrazol-5-yl)-1H-indole-2-carboxamide
CID 110474036
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-1H-indole-2-carboxamide
CID 166403574
ethane;1H-indole-2-carboxylic acid
CID 91052830
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid (CID 110481756) is 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid is O=C(Nc1[nH]ncc1C(=O)O)c1cc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is WNVXSEWRBOPORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12(16-11-8(13(19)20)6-14-17-11)10-5-7-3-1-2-4-9(7)15-10/h1-6,15H,(H,19,20)(H2,14,16,17,18).
What are the key properties of 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid?
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110481756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).