6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid

C9H12N2O2 — CID 112714670

IUPAC6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-2-3-6-4-10-11-8(6)7(5)9(12)13/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYISLEZLRNMILNK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.16
Rot. Bonds1

About 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid

6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid (PubChem CID 112714670) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
PubChem CID112714670
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-2-3-6-4-10-11-8(6)7(5)9(12)13/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYISLEZLRNMILNK-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
(1R,2S,5R,8R,9S,10R,14R,15S,22R,23R)-1,2,5,8,9,15,22-heptamethyl-13-oxo-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-22-carboxylic acid
CID 118728754
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid (CID 112714670) is 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid is CC1CCc2cn[nH]c2C1C(=O)O.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
The InChIKey is YISLEZLRNMILNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-2-3-6-4-10-11-8(6)7(5)9(12)13/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid?
6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 112714670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).