3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid

C19H16FN3O4 — CID 140879217

IUPAC3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2c(C(N)=O)cccc2C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O4/c1-27-10-23-16(11-5-7-12(20)8-6-11)9-15(22-23)17-13(18(21)24)3-2-4-14(17)19(25)26/h2-9H,10H2,1H3,(H2,21,24)(H,25,26)
InChIKeyOTVDFAPTCOVOFT-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.76
Rot. Bonds6

About 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid

3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid (PubChem CID 140879217) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
PubChem CID140879217
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2c(C(N)=O)cccc2C(=O)O)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O4/c1-27-10-23-16(11-5-7-12(20)8-6-11)9-15(22-23)17-13(18(21)24)3-2-4-14(17)19(25)26/h2-9H,10H2,1H3,(H2,21,24)(H,25,26)
InChIKeyOTVDFAPTCOVOFT-UHFFFAOYSA-N
XLogP2.76
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(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

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid (CID 140879217) is 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid is COCn1nc(-c2c(C(N)=O)cccc2C(=O)O)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid?
The InChIKey is OTVDFAPTCOVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-27-10-23-16(11-5-7-12(20)8-6-11)9-15(22-23)17-13(18(21)24)3-2-4-14(17)19(25)26/h2-9H,10H2,1H3,(H2,21,24)(H,25,26).
What are the key properties of 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid?
3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid has a molecular weight of 369.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 140879217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).