5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C17H15F2N3O — CID 24901499

IUPAC5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)
InChIKeyFGAMMGLHXPEMRM-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.46
Rot. Bonds2

About 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24901499) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID24901499
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)
InChIKeyFGAMMGLHXPEMRM-UHFFFAOYSA-N
XLogP3.46
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 24901499) is 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is CNC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FGAMMGLHXPEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23).
What are the key properties of 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).