3-(7-methyl-1H-indazol-6-yl)propanoic acid

C11H12N2O2 — CID 175141780

IUPAC3-(7-methyl-1H-indazol-6-yl)propanoic acid
SMILESCc1c(CCC(=O)O)ccc2cn[nH]c12
InChIInChI=1S/C11H12N2O2/c1-7-8(4-5-10(14)15)2-3-9-6-12-13-11(7)9/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyUNGSOJHVGMQORK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.89
Rot. Bonds3

About 3-(7-methyl-1H-indazol-6-yl)propanoic acid

3-(7-methyl-1H-indazol-6-yl)propanoic acid (PubChem CID 175141780) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(7-methyl-1H-indazol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methyl-1H-indazol-6-yl)propanoic acid
PubChem CID175141780
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(7-methyl-1H-indazol-6-yl)propanoic acid
SMILESCc1c(CCC(=O)O)ccc2cn[nH]c12
InChIInChI=1S/C11H12N2O2/c1-7-8(4-5-10(14)15)2-3-9-6-12-13-11(7)9/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyUNGSOJHVGMQORK-UHFFFAOYSA-N
XLogP1.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
2-(1H-pyrazolo[5,4-c]pyridin-7-yl)acetic acid
CID 82410622
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
3-[1-(2-hydroxyethyl)-4-methylbenzotriazol-5-yl]propanoic acid
CID 175838680
3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
CID 39096230
3-[1-(2-chloroethyl)-4-methylbenzotriazol-5-yl]propanoic acid
CID 175838581

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1H-indazol-6-yl)propanoic acid?
The IUPAC name of 3-(7-methyl-1H-indazol-6-yl)propanoic acid (CID 175141780) is 3-(7-methyl-1H-indazol-6-yl)propanoic acid.
What is the SMILES notation for 3-(7-methyl-1H-indazol-6-yl)propanoic acid?
The canonical SMILES for 3-(7-methyl-1H-indazol-6-yl)propanoic acid is Cc1c(CCC(=O)O)ccc2cn[nH]c12.
What is the InChIKey of 3-(7-methyl-1H-indazol-6-yl)propanoic acid?
The InChIKey is UNGSOJHVGMQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-8(4-5-10(14)15)2-3-9-6-12-13-11(7)9/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(7-methyl-1H-indazol-6-yl)propanoic acid?
3-(7-methyl-1H-indazol-6-yl)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1H-indazol-6-yl)propanoic acid is sourced from PubChem (CID 175141780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).