3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

C14H13ClN2O3 — CID 117472618

IUPAC3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2OCC2CC2)n[nH]1
InChIInChI=1S/C14H13ClN2O3/c15-10-3-1-2-9(13(10)20-7-8-4-5-8)11-6-12(14(18)19)17-16-11/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyRASFDPOMNARTOX-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.22
Rot. Bonds5

About 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117472618) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117472618
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2OCC2CC2)n[nH]1
InChIInChI=1S/C14H13ClN2O3/c15-10-3-1-2-9(13(10)20-7-8-4-5-8)11-6-12(14(18)19)17-16-11/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19)
InChIKeyRASFDPOMNARTOX-UHFFFAOYSA-N
XLogP3.22
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465689
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108158
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117472618) is 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2OCC2CC2)n[nH]1.
What is the InChIKey of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is RASFDPOMNARTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-10-3-1-2-9(13(10)20-7-8-4-5-8)11-6-12(14(18)19)17-16-11/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).