2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid

C12H18N2O2 — CID 83890630

IUPAC2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
SMILESCC(C)n1ncc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12-9(6-11(15)16)4-3-5-10(12)7-13-14/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyOMSZUOLTEGGXLS-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.36
Rot. Bonds3

About 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid

2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid (PubChem CID 83890630) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
PubChem CID83890630
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
SMILESCC(C)n1ncc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12-9(6-11(15)16)4-3-5-10(12)7-13-14/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyOMSZUOLTEGGXLS-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.36
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
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
4,5,6,7-Tetrahydro-1H-indazole-1-propanoic acid
CID 16765314
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The IUPAC name of 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid (CID 83890630) is 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid.
What is the SMILES notation for 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The canonical SMILES for 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid is CC(C)n1ncc2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The InChIKey is OMSZUOLTEGGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)14-12-9(6-11(15)16)4-3-5-10(12)7-13-14/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid has a molecular weight of 222.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid is sourced from PubChem (CID 83890630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).