3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide

C29H18ClFN4O2 — CID 57058752

IUPAC3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C29H18ClFN4O2/c30-22-7-3-21(4-8-22)28-27(20-5-9-23(31)10-6-20)18-35(34-28)29(36)33-24-11-15-26(16-12-24)37-25-13-1-19(17-32)2-14-25/h1-16,18H,(H,33,36)
InChIKeyWZEATNIWNBSMAN-UHFFFAOYSA-N
MW508.94 g/mol
LogP7.75
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide

3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide (PubChem CID 57058752) has the molecular formula C29H18ClFN4O2 and a molecular weight of 508.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
PubChem CID57058752
Molecular FormulaC29H18ClFN4O2
Molecular Weight508.94 g/mol
Exact Mass508.11
IUPAC Name3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C29H18ClFN4O2/c30-22-7-3-21(4-8-22)28-27(20-5-9-23(31)10-6-20)18-35(34-28)29(36)33-24-11-15-26(16-12-24)37-25-13-1-19(17-32)2-14-25/h1-16,18H,(H,33,36)
InChIKeyWZEATNIWNBSMAN-UHFFFAOYSA-N
XLogP7.75
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.94
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(4-chloro-2-fluorophenoxy)phenyl)-1H-pyrazole-1-carboxamide
CID 9927558
3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171349294
1-(4-Chlorophenyl)-3-[3-[2-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]urea
CID 10128104
5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 10184823
5-(4-chlorophenyl)-N-(cyanomethyl)-4-(4-cyanopyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 12056762
5-(4-chlorophenyl)-4-(4-cyanopyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 12056763
5-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277386
N-[4-(4-chlorophenoxy)phenyl]-3-(2-fluorophenyl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 56975564
3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
CID 56983886
3-(4-chlorophenyl)-4-(4-fluorophenyl)-N-[4-(4-propan-2-yloxyphenoxy)phenyl]pyrazole-1-carboxamide
CID 56985339
4-(4-chlorophenyl)-3-[4-(difluoromethoxy)phenyl]-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56986445
3-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57016197

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide (CID 57058752) is 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide is N#Cc1ccc(Oc2ccc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The InChIKey is WZEATNIWNBSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClFN4O2/c30-22-7-3-21(4-8-22)28-27(20-5-9-23(31)10-6-20)18-35(34-28)29(36)33-24-11-15-26(16-12-24)37-25-13-1-19(17-32)2-14-25/h1-16,18H,(H,33,36).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide has a molecular weight of 508.94 g/mol, XLogP of 7.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(4-cyanophenoxy)phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 57058752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).