1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C11H16N2O2 — CID 83861850

IUPAC1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC(C)n1ncc2c1CCCC2C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7(2)13-10-5-3-4-8(11(14)15)9(10)6-12-13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyZIJHPRKUWRMVHX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds2

About 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83861850) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83861850
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC(C)n1ncc2c1CCCC2C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7(2)13-10-5-3-4-8(11(14)15)9(10)6-12-13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyZIJHPRKUWRMVHX-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
methyl 2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylate
CID 167723772
2-fluoro-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 165493391
2-fluoro-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 165495795

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83861850) is 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is CC(C)n1ncc2c1CCCC2C(=O)O.
What is the InChIKey of 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is ZIJHPRKUWRMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)13-10-5-3-4-8(11(14)15)9(10)6-12-13/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83861850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).