3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide

C18H16FN3O2 — CID 136578868

IUPAC3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-n2ccc(CNC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-17-7-5-16(6-8-17)22-10-9-15(21-22)12-20-18(23)13-3-2-4-14(19)11-13/h2-11H,12H2,1H3,(H,20,23)
InChIKeyKNUQPWDNQPNRBW-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.95
Rot. Bonds5

About 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide

3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide (PubChem CID 136578868) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
PubChem CID136578868
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-n2ccc(CNC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-17-7-5-16(6-8-17)22-10-9-15(21-22)12-20-18(23)13-3-2-4-14(19)11-13/h2-11H,12H2,1H3,(H,20,23)
InChIKeyKNUQPWDNQPNRBW-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide 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

1-[(3-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111877072
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
CID 94656869
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
CID 119747670
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
(E)-3-(5-bromo-2-methoxyphenyl)-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]prop-2-enamide
CID 98932779
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide (CID 136578868) is 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide is COc1ccc(-n2ccc(CNC(=O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide?
The InChIKey is KNUQPWDNQPNRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-17-7-5-16(6-8-17)22-10-9-15(21-22)12-20-18(23)13-3-2-4-14(19)11-13/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide?
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 136578868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).