N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide

C20H18F3N3O — CID 53058883

IUPACN-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1cc(CCC(=O)NCc2cc(F)cc(F)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F3N3O/c1-26-12-15(20(25-26)14-2-5-16(21)6-3-14)4-7-19(27)24-11-13-8-17(22)10-18(23)9-13/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,24,27)
InChIKeySCVSNDPXWMUZFV-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.75
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide

N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide (PubChem CID 53058883) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
PubChem CID53058883
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1cc(CCC(=O)NCc2cc(F)cc(F)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F3N3O/c1-26-12-15(20(25-26)14-2-5-16(21)6-3-14)4-7-19(27)24-11-13-8-17(22)10-18(23)9-13/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,24,27)
InChIKeySCVSNDPXWMUZFV-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53033076
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
CID 110730559
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide (CID 53058883) is N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide is Cn1cc(CCC(=O)NCc2cc(F)cc(F)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide?
The InChIKey is SCVSNDPXWMUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-26-12-15(20(25-26)14-2-5-16(21)6-3-14)4-7-19(27)24-11-13-8-17(22)10-18(23)9-13/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,24,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide?
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide has a molecular weight of 373.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 53058883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).