3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C12H16N2O2 — CID 83861917

IUPAC3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCCC2C(=O)O
InChIInChI=1S/C12H16N2O2/c1-14-9-4-2-3-8(12(15)16)10(9)11(13-14)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLCLZTZMPQSIYTK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83861917) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83861917
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCCC2C(=O)O
InChIInChI=1S/C12H16N2O2/c1-14-9-4-2-3-8(12(15)16)10(9)11(13-14)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLCLZTZMPQSIYTK-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-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

2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
2-[1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591272
2-[1-[3-(Dimethylamino)propyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 133650101
2-fluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165493430
4,4-difluoro-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)cyclohexane-1-carboxylic acid
CID 165695893
1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 165706792
2,2-difluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165717812
3-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 21258074
1,6,6-Trimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
CID 58559069

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83861917) is 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is Cn1nc(C2CC2)c2c1CCCC2C(=O)O.
What is the InChIKey of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is LCLZTZMPQSIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-9-4-2-3-8(12(15)16)10(9)11(13-14)7-5-6-7/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83861917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).