5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid

C12H10N4O2 — CID 117357229

IUPAC5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H10N4O2/c1-16-11(5-10(15-16)12(17)18)7-2-3-9-8(4-7)6-13-14-9/h2-6H,1H3,(H,13,14)(H,17,18)
InChIKeyPOCDNSDTUCEMFJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.66
Rot. Bonds2

About 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid

5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117357229) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117357229
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H10N4O2/c1-16-11(5-10(15-16)12(17)18)7-2-3-9-8(4-7)6-13-14-9/h2-6H,1H3,(H,13,14)(H,17,18)
InChIKeyPOCDNSDTUCEMFJ-UHFFFAOYSA-N
XLogP1.66
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983
5-(4-tert-butylisoquinolin-7-yl)-1-methylpyrazole-3-carboxylic acid
CID 117494173
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117428884
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 158537593

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid (CID 117357229) is 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is POCDNSDTUCEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-11(5-10(15-16)12(17)18)7-2-3-9-8(4-7)6-13-14-9/h2-6H,1H3,(H,13,14)(H,17,18).
What are the key properties of 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid?
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117357229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).