3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid

C9H12N2O2 — CID 73357528

IUPAC3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(C(=O)O)CCC2
InChIInChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-2-4-7(8)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeySLKIRIRZLSGWOZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.22
Rot. Bonds1

About 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid

3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid (PubChem CID 73357528) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
PubChem CID73357528
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(C(=O)O)CCC2
InChIInChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-2-4-7(8)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeySLKIRIRZLSGWOZ-UHFFFAOYSA-N
XLogP1.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
5-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25163409
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
5-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 57561759
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7099386
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid (CID 73357528) is 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid is Cc1[nH]nc2c1C(C(=O)O)CCC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid?
The InChIKey is SLKIRIRZLSGWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8-6(9(12)13)3-2-4-7(8)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid?
3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid is sourced from PubChem (CID 73357528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).