N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide

C25H20F4N4O2 — CID 155286999

IUPACN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)c(-c3ccccn3)c2)cc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C25H20F4N4O2/c1-15-20(23(34)31-17-7-5-6-16(12-17)25(2,28)29)14-33(32-15)18-9-10-22(35-24(26)27)19(13-18)21-8-3-4-11-30-21/h3-14,24H,1-2H3,(H,31,34)
InChIKeyGBZRBLWKIXOOJC-UHFFFAOYSA-N
MW484.45 g/mol
LogP6.21
Rot. Bonds7

About N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide

N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 155286999) has the molecular formula C25H20F4N4O2 and a molecular weight of 484.45 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide
PubChem CID155286999
Molecular FormulaC25H20F4N4O2
Molecular Weight484.45 g/mol
Exact Mass484.15
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)c(-c3ccccn3)c2)cc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C25H20F4N4O2/c1-15-20(23(34)31-17-7-5-6-16(12-17)25(2,28)29)14-33(32-15)18-9-10-22(35-24(26)27)19(13-18)21-8-3-4-11-30-21/h3-14,24H,1-2H3,(H,31,34)
InChIKeyGBZRBLWKIXOOJC-UHFFFAOYSA-N
XLogP6.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.45
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide (CID 155286999) is N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(OC(F)F)c(-c3ccccn3)c2)cc1C(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is GBZRBLWKIXOOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O2/c1-15-20(23(34)31-17-7-5-6-16(12-17)25(2,28)29)14-33(32-15)18-9-10-22(35-24(26)27)19(13-18)21-8-3-4-11-30-21/h3-14,24H,1-2H3,(H,31,34).
What are the key properties of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide?
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 484.45 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-2-ylphenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155286999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).