3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide

C18H17F2N3O — CID 10308676

IUPAC3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C18H17F2N3O/c1-18(12-6-4-3-5-7-12)11-16(22-23(18)17(24)21-2)14-10-13(19)8-9-15(14)20/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeySQGYSFDZVYSROA-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.63
Rot. Bonds2

About 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide

3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 10308676) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID10308676
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1
InChIInChI=1S/C18H17F2N3O/c1-18(12-6-4-3-5-7-12)11-16(22-23(18)17(24)21-2)14-10-13(19)8-9-15(14)20/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeySQGYSFDZVYSROA-UHFFFAOYSA-N
XLogP3.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 23586165
3-(2,5-Difluorophenyl)-5-(hydroxymethyl)-n-methyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10193550
4-[3-(2,5-difluorophenyl)-1-(ethylcarbamoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylbutanamine oxide
CID 10195027
5-[4-(Benzylamino)butyl]-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10195768
Dihydropyrazole, 7
CID 10286584
5-(3-Aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10309476
3-[1-(Azetidin-1-ylcarbonyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1h-pyrazol-5-yl]propan-1-amine
CID 10309662
3-(2,5-Difluorophenyl)-5-[4-(dimethylamino)butyl]-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10310151
3-(2,5-difluorophenyl)-N-ethyl-5-(3-hydroxypropyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901501
1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11848366
(S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435350
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 15604796

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide (CID 10308676) is 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide is CNC(=O)N1N=C(c2cc(F)ccc2F)CC1(C)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is SQGYSFDZVYSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-18(12-6-4-3-5-7-12)11-16(22-23(18)17(24)21-2)14-10-13(19)8-9-15(14)20/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N,5-dimethyl-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10308676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).