1-indazol-1-ylcyclopentane-1-carboxylic acid

C13H14N2O2 — CID 114996720

IUPAC1-indazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ncc3ccccc32)CCCC1
InChIInChI=1S/C13H14N2O2/c16-12(17)13(7-3-4-8-13)15-11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyFJZZEJMAMKLDJU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.39
Rot. Bonds2

About 1-indazol-1-ylcyclopentane-1-carboxylic acid

1-indazol-1-ylcyclopentane-1-carboxylic acid (PubChem CID 114996720) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-indazol-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-indazol-1-ylcyclopentane-1-carboxylic acid
PubChem CID114996720
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-indazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ncc3ccccc32)CCCC1
InChIInChI=1S/C13H14N2O2/c16-12(17)13(7-3-4-8-13)15-11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyFJZZEJMAMKLDJU-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
2-(3-phenyl-1H-indazol-1-yl)propanoic acid
CID 20888249
3-(1H-indazol-1-yl)propanoic acid
CID 805922
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830
1H-Indazole-1-acetic acid, 3-phenyl-
CID 5309553
2-(3-methyl-1H-indazol-1-yl)propanoic acid
CID 3240603
3-(6-Methylindazol-1-yl)propanoic acid
CID 84672230
Acetic acid, (p-(2H-indazol-2-yl)phenyl)-
CID 54725
Butyric acid, 4-(p-(2H-indazol-2-yl)phenyl)-
CID 54727

Frequently Asked Questions

What is the IUPAC name of 1-indazol-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-indazol-1-ylcyclopentane-1-carboxylic acid (CID 114996720) is 1-indazol-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-indazol-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-indazol-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(n2ncc3ccccc32)CCCC1.
What is the InChIKey of 1-indazol-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is FJZZEJMAMKLDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(17)13(7-3-4-8-13)15-11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of 1-indazol-1-ylcyclopentane-1-carboxylic acid?
1-indazol-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indazol-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114996720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).