6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid

C10H14N2O2 — CID 83862101

IUPAC6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1(C)Cc2[nH]ncc2C(C(=O)O)C1
InChIInChI=1S/C10H14N2O2/c1-10(2)3-6(9(13)14)7-5-11-12-8(7)4-10/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDUKNMUZLUWLGRF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds1

About 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid

6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83862101) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83862101
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1(C)Cc2[nH]ncc2C(C(=O)O)C1
InChIInChI=1S/C10H14N2O2/c1-10(2)3-6(9(13)14)7-5-11-12-8(7)4-10/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDUKNMUZLUWLGRF-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 45482895
4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 56669989
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
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 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid (CID 83862101) is 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid is CC1(C)Cc2[nH]ncc2C(C(=O)O)C1.
What is the InChIKey of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is DUKNMUZLUWLGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2)3-6(9(13)14)7-5-11-12-8(7)4-10/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid?
6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).