2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid

C18H14ClFN2O3 — CID 135132617

IUPAC2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccccc1C(=O)O
InChIInChI=1S/C18H14ClFN2O3/c1-25-10-22-17(13-4-2-3-5-14(13)18(23)24)15(19)16(21-22)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,23,24)
InChIKeyHTANGMWOINDZPC-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.31
Rot. Bonds5

About 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid

2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid (PubChem CID 135132617) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid
PubChem CID135132617
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccccc1C(=O)O
InChIInChI=1S/C18H14ClFN2O3/c1-25-10-22-17(13-4-2-3-5-14(13)18(23)24)15(19)16(21-22)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,23,24)
InChIKeyHTANGMWOINDZPC-UHFFFAOYSA-N
XLogP4.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic 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

CID 917484
CID 917484
CID 122454370
CID 122454370
CID 6484191
CID 6484191
CID 60174707
CID 60174707
CID 86300131
CID 86300131
CID 44451860
CID 44451860
CID 46887124
CID 46887124
CID 46887470
CID 46887470
CID 71455284
CID 71455284
CID 71460734
CID 71460734
CID 110160760
CID 110160760
CID 53433078
CID 53433078

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid (CID 135132617) is 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid is COCn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The InChIKey is HTANGMWOINDZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-25-10-22-17(13-4-2-3-5-14(13)18(23)24)15(19)16(21-22)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid?
2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid has a molecular weight of 360.77 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 135132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).