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

C10H14N2O2 — CID 112715288

IUPAC6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid
SMILESCC1(C)CCc2cn[nH]c2C1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2)4-3-6-5-11-12-8(6)7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXMTCHDTYTJMXEL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds1

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

6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid (PubChem CID 112715288) 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-7-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid
PubChem CID112715288
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid
SMILESCC1(C)CCc2cn[nH]c2C1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2)4-3-6-5-11-12-8(6)7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXMTCHDTYTJMXEL-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

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-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
(1R,2S,5S,10S,14R,15R,22S,23R)-22-(hydroxymethyl)-1,2,8,8,15,22-hexamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 164613986
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-7-carboxylic acid?
The IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid (CID 112715288) is 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid is CC1(C)CCc2cn[nH]c2C1C(=O)O.
What is the InChIKey of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid?
The InChIKey is XMTCHDTYTJMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2)4-3-6-5-11-12-8(6)7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid?
6,6-dimethyl-1,4,5,7-tetrahydroindazole-7-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-7-carboxylic acid is sourced from PubChem (CID 112715288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).