5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

C14H13N3O2 — CID 82299165

IUPAC5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1c(-c2[nH]ncc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H13N3O2/c1-8-12(13-10(14(18)19)7-15-16-13)9-5-3-4-6-11(9)17(8)2/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyZGXBRSLSSGGQEV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.58
Rot. Bonds2

About 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 82299165) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID82299165
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1c(-c2[nH]ncc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H13N3O2/c1-8-12(13-10(14(18)19)7-15-16-13)9-5-3-4-6-11(9)17(8)2/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyZGXBRSLSSGGQEV-UHFFFAOYSA-N
XLogP2.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115108943
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82488144
5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109249
4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 82299508
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole
CID 13214536
5-methylbenzene-1,3-dicarboxylic acid;5-phenyl-1H-pyrazole-4-carboxylic acid
CID 160620649
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
5-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 22831680

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 82299165) is 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is Cc1c(-c2[nH]ncc2C(=O)O)c2ccccc2n1C.
What is the InChIKey of 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is ZGXBRSLSSGGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-12(13-10(14(18)19)7-15-16-13)9-5-3-4-6-11(9)17(8)2/h3-7H,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82299165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).