3-(2-methylpropyl)-2H-indazole-5-carboxylic acid

C12H14N2O2 — CID 105472301

IUPAC3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
SMILESCC(C)Cc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C12H14N2O2/c1-7(2)5-11-9-6-8(12(15)16)3-4-10(9)13-14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySOIMDMPMUKPBOC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.46
Rot. Bonds3

About 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid

3-(2-methylpropyl)-2H-indazole-5-carboxylic acid (PubChem CID 105472301) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
PubChem CID105472301
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
SMILESCC(C)Cc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C12H14N2O2/c1-7(2)5-11-9-6-8(12(15)16)3-4-10(9)13-14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySOIMDMPMUKPBOC-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-2H-indazole-5-carboxylic acid
CID 83483911
3-heptan-4-yl-2H-indazole-5-carboxylic acid
CID 175746520
3-(2-methylpropyl)-2H-indazol-6-ol
CID 136693478
3-fluoro-2H-indazole-5-carboxylic acid
CID 118879459
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-2H-indazole-5-carboxamide
CID 167768916
3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
CID 155646496
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
CID 118959944
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
CID 70287691
4-fluoro-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
CID 118484988

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid (CID 105472301) is 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid is CC(C)Cc1[nH]nc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid?
The InChIKey is SOIMDMPMUKPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)5-11-9-6-8(12(15)16)3-4-10(9)13-14-11/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid?
3-(2-methylpropyl)-2H-indazole-5-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 105472301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).