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

C25H20F4N4O2 — CID 155311324

IUPACN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)c(-c3ccncc3)c2)cc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C25H20F4N4O2/c1-15-21(23(34)31-18-5-3-4-17(12-18)25(2,28)29)14-33(32-15)19-6-7-22(35-24(26)27)20(13-19)16-8-10-30-11-9-16/h3-14,24H,1-2H3,(H,31,34)
InChIKeyZGUBVBJDPWMOMH-UHFFFAOYSA-N
MW484.45 g/mol
LogP6.21
Rot. Bonds7

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

N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 155311324) 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-4-ylphenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide
PubChem CID155311324
Molecular FormulaC25H20F4N4O2
Molecular Weight484.45 g/mol
Exact Mass484.15
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(OC(F)F)c(-c3ccncc3)c2)cc1C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C25H20F4N4O2/c1-15-21(23(34)31-18-5-3-4-17(12-18)25(2,28)29)14-33(32-15)19-6-7-22(35-24(26)27)20(13-19)16-8-10-30-11-9-16/h3-14,24H,1-2H3,(H,31,34)
InChIKeyZGUBVBJDPWMOMH-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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Related Compounds

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443061
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443144
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide (CID 155311324) is N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-ylphenyl]-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(OC(F)F)c(-c3ccncc3)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-4-ylphenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is ZGUBVBJDPWMOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O2/c1-15-21(23(34)31-18-5-3-4-17(12-18)25(2,28)29)14-33(32-15)19-6-7-22(35-24(26)27)20(13-19)16-8-10-30-11-9-16/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-4-ylphenyl]-3-methylpyrazole-4-carboxamide?
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)-3-pyridin-4-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-4-ylphenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155311324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).