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

C16H13F2N3O — CID 10308428

IUPAC5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C16H13F2N3O/c17-11-6-7-13(18)12(8-11)14-9-15(21(20-14)16(19)22)10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,19,22)
InChIKeyRBNNQLXEYRAWPU-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.19
Rot. Bonds2

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

5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 10308428) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID10308428
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C16H13F2N3O/c17-11-6-7-13(18)12(8-11)14-9-15(21(20-14)16(19)22)10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,19,22)
InChIKeyRBNNQLXEYRAWPU-UHFFFAOYSA-N
XLogP3.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.19
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)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 10308428) is 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RBNNQLXEYRAWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-11-6-7-13(18)12(8-11)14-9-15(21(20-14)16(19)22)10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,19,22).
What are the key properties of 5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 3.19, 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)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 10308428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).