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

C18H17F2N3O — CID 10286584

IUPAC5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
InChIKeyOJTLBPPHFFUINF-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.80
Rot. Bonds2

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

5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 10286584) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID10286584
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
InChIKeyOJTLBPPHFFUINF-UHFFFAOYSA-N
XLogP3.80
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 10286584) is 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is CN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OJTLBPPHFFUINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N,N-dimethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 10286584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).