N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

C24H19F2N3O3 — CID 37040728

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc2OC(F)F)cc1
InChIInChI=1S/C24H19F2N3O3/c1-31-18-10-7-15(8-11-18)19-13-17(9-12-21(19)32-24(25)26)28-23(30)20-14-27-29-22(20)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,27,29)(H,28,30)
InChIKeyZORNSFKXJSQIRQ-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.61
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 37040728) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID37040728
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc2OC(F)F)cc1
InChIInChI=1S/C24H19F2N3O3/c1-31-18-10-7-15(8-11-18)19-13-17(9-12-21(19)32-24(25)26)28-23(30)20-14-27-29-22(20)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,27,29)(H,28,30)
InChIKeyZORNSFKXJSQIRQ-UHFFFAOYSA-N
XLogP5.61
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24576066
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55369373
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 112807637
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 37040728) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is COc1ccc(-c2cc(NC(=O)c3cn[nH]c3-c3ccccc3)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZORNSFKXJSQIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c1-31-18-10-7-15(8-11-18)19-13-17(9-12-21(19)32-24(25)26)28-23(30)20-14-27-29-22(20)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 37040728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).