3-heptan-4-yl-2H-indazole-5-carboxylic acid

C15H20N2O2 — CID 175746520

IUPAC3-heptan-4-yl-2H-indazole-5-carboxylic acid
SMILESCCCC(CCC)c1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C15H20N2O2/c1-3-5-10(6-4-2)14-12-9-11(15(18)19)7-8-13(12)16-17-14/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUJVSDGQYHBUXTN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.94
Rot. Bonds6

About 3-heptan-4-yl-2H-indazole-5-carboxylic acid

3-heptan-4-yl-2H-indazole-5-carboxylic acid (PubChem CID 175746520) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-heptan-4-yl-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-heptan-4-yl-2H-indazole-5-carboxylic acid
PubChem CID175746520
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-heptan-4-yl-2H-indazole-5-carboxylic acid
SMILESCCCC(CCC)c1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C15H20N2O2/c1-3-5-10(6-4-2)14-12-9-11(15(18)19)7-8-13(12)16-17-14/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUJVSDGQYHBUXTN-UHFFFAOYSA-N
XLogP3.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105472301
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CID 118879459
3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
CID 155646496
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
3-(ethylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 70896193
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid
CID 3117143
4-[(3S)-3-carboxyhexanoyl]benzoic acid
CID 125465911
4-chloro-2-ethylquinoline-7-carboxylic acid
CID 126753847

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-heptan-4-yl-2H-indazole-5-carboxylic acid (CID 175746520) is 3-heptan-4-yl-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-heptan-4-yl-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-heptan-4-yl-2H-indazole-5-carboxylic acid is CCCC(CCC)c1[nH]nc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-heptan-4-yl-2H-indazole-5-carboxylic acid?
The InChIKey is UJVSDGQYHBUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-10(6-4-2)14-12-9-11(15(18)19)7-8-13(12)16-17-14/h7-10H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-heptan-4-yl-2H-indazole-5-carboxylic acid?
3-heptan-4-yl-2H-indazole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 175746520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).