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

C30H24ClFN4O2 — CID 56983886

IUPAC3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCN(C)c1ccc(Oc2ccc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C30H24ClFN4O2/c1-35(2)25-13-17-27(18-14-25)38-26-15-11-24(12-16-26)33-30(37)36-19-28(20-5-9-23(32)10-6-20)29(34-36)21-3-7-22(31)8-4-21/h3-19H,1-2H3,(H,33,37)
InChIKeyGZUXGKVPUXLDLK-UHFFFAOYSA-N
MW527.00 g/mol
LogP7.95
Rot. Bonds6

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

3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide (PubChem CID 56983886) has the molecular formula C30H24ClFN4O2 and a molecular weight of 527.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
PubChem CID56983886
Molecular FormulaC30H24ClFN4O2
Molecular Weight527.00 g/mol
Exact Mass526.16
IUPAC Name3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCN(C)c1ccc(Oc2ccc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C30H24ClFN4O2/c1-35(2)25-13-17-27(18-14-25)38-26-15-11-24(12-16-26)33-30(37)36-19-28(20-5-9-23(32)10-6-20)29(34-36)21-3-7-22(31)8-4-21/h3-19H,1-2H3,(H,33,37)
InChIKeyGZUXGKVPUXLDLK-UHFFFAOYSA-N
XLogP7.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.00
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,4-difluoro-phenyl)-urea
CID 11625339
1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)urea
CID 11675550
1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 44555382
1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(3,5-difluorophenyl)urea
CID 45486733
1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
CID 45486708
3-(4-(4-chloro-2-fluorophenoxy)phenyl)-1H-pyrazole-1-carboxamide
CID 9927558
N-[3-(4-Chloro-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-4-(4-fluorophenethyl)piperazine-1-carboxamide
CID 46901596
1-[3-(4-Chlorophenyl)-1-methylpyrazol-5-yl]-3-(4-phenylmethoxyphenyl)urea
CID 2813985
1-[(4-Chlorophenyl)methyl]-6-[4-(2,5-dimethylpyrazol-3-yl)oxyanilino]-3-ethyl-1,3,5-triazine-2,4-dione
CID 68021198
4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 70693878
3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171349294
3-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-N-(4-methylphenyl)pyrazole-1-carboxamide
CID 7086037

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide (CID 56983886) is 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide is CN(C)c1ccc(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-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The InChIKey is GZUXGKVPUXLDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN4O2/c1-35(2)25-13-17-27(18-14-25)38-26-15-11-24(12-16-26)33-30(37)36-19-28(20-5-9-23(32)10-6-20)29(34-36)21-3-7-22(31)8-4-21/h3-19H,1-2H3,(H,33,37).
What are the key properties of 3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-[4-[4-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide has a molecular weight of 527.00 g/mol, XLogP of 7.95, 6 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-(dimethylamino)phenoxy]phenyl]-4-(4-fluorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 56983886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).