2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C10H14N2O2 — CID 112715296

IUPAC2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1CCc2nn(C)cc2C1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8-7(5-12(2)11-8)9(6)10(13)14/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyBTNNBVNHAHPUCG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.17
Rot. Bonds1

About 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 112715296) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID112715296
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1CCc2nn(C)cc2C1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8-7(5-12(2)11-8)9(6)10(13)14/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyBTNNBVNHAHPUCG-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 124676721
(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)methanol
CID 119053634
2-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 82409111
1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 167954670
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 112716467
1-chloro-5-methyl-4,5,6,7-tetrahydro-2H-isoindole-4-carboxylic acid
CID 112716624
1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
CID 84676920
(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 130705836
4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906646
4-methylcyclohexene-1,2,3-tricarboxylic acid
CID 22608859
1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 115990908
2,5-dimethyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)morpholine-4-carboxamide
CID 136541064

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 112715296) is 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is CC1CCc2nn(C)cc2C1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is BTNNBVNHAHPUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-3-4-8-7(5-12(2)11-8)9(6)10(13)14/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 112715296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).