1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid

C13H12N4O2 — CID 13349347

IUPAC1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2n[nH]c3ccccc23)c(C)c1C(=O)O
InChIInChI=1S/C13H12N4O2/c1-7-11(13(18)19)8(2)17(16-7)12-9-5-3-4-6-10(9)14-15-12/h3-6H,1-2H3,(H,14,15)(H,18,19)
InChIKeyMMDBZPZBZJOMMW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.06
Rot. Bonds2

About 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid

1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 13349347) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID13349347
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2n[nH]c3ccccc23)c(C)c1C(=O)O
InChIInChI=1S/C13H12N4O2/c1-7-11(13(18)19)8(2)17(16-7)12-9-5-3-4-6-10(9)14-15-12/h3-6H,1-2H3,(H,14,15)(H,18,19)
InChIKeyMMDBZPZBZJOMMW-UHFFFAOYSA-N
XLogP2.06
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79733363
3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
CID 62940986
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
3,5-dimethyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrazole-4-carboxylic acid
CID 103080478
3-(azocan-1-yl)-1H-indazole
CID 178043244
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220615

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 13349347) is 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(-c2n[nH]c3ccccc23)c(C)c1C(=O)O.
What is the InChIKey of 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is MMDBZPZBZJOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-11(13(18)19)8(2)17(16-7)12-9-5-3-4-6-10(9)14-15-12/h3-6H,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 13349347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).