3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

C14H9ClN2O3 — CID 136968351

IUPAC3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(Cl)ccc3cc2O)n[nH]1
InChIInChI=1S/C14H9ClN2O3/c15-9-2-1-7-5-13(18)10(4-8(7)3-9)11-6-12(14(19)20)17-16-11/h1-6,18H,(H,16,17)(H,19,20)
InChIKeyBFTSDZYPYIDLKW-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.29
Rot. Bonds2

About 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136968351) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID136968351
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3cc(Cl)ccc3cc2O)n[nH]1
InChIInChI=1S/C14H9ClN2O3/c15-9-2-1-7-5-13(18)10(4-8(7)3-9)11-6-12(14(19)20)17-16-11/h1-6,18H,(H,16,17)(H,19,20)
InChIKeyBFTSDZYPYIDLKW-UHFFFAOYSA-N
XLogP3.29
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195
3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136932425
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 136997983
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136932431

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid (CID 136968351) is 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc3cc(Cl)ccc3cc2O)n[nH]1.
What is the InChIKey of 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BFTSDZYPYIDLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-2-1-7-5-13(18)10(4-8(7)3-9)11-6-12(14(19)20)17-16-11/h1-6,18H,(H,16,17)(H,19,20).
What are the key properties of 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid?
3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136968351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).