N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

C18H15ClFN3OS — CID 86968301

IUPACN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-5-7-15(8-6-14)23-11-13(10-22-23)9-21-18(24)12-25-17-4-2-1-3-16(17)20/h1-8,10-11H,9,12H2,(H,21,24)
InChIKeyPGMNYOURHCONSC-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.07
Rot. Bonds6

About N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 86968301) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID86968301
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-5-7-15(8-6-14)23-11-13(10-22-23)9-21-18(24)12-25-17-4-2-1-3-16(17)20/h1-8,10-11H,9,12H2,(H,21,24)
InChIKeyPGMNYOURHCONSC-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide 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

4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylhexanamide
CID 86968262
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[(2,6-difluorophenyl)methyl]-1-ethylurea
CID 86970061
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 86968387
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 86968568
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 86968301) is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is PGMNYOURHCONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-14-5-7-15(8-6-14)23-11-13(10-22-23)9-21-18(24)12-25-17-4-2-1-3-16(17)20/h1-8,10-11H,9,12H2,(H,21,24).
What are the key properties of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 375.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 86968301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).