N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide

C29H31FN4O2 — CID 134135105

IUPACN-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCN3CCOCC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35)
InChIKeyWWQJGNLZPDECOJ-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.39
Rot. Bonds6

About N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134135105) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134135105
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC NameN-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCN3CCOCC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35)
InChIKeyWWQJGNLZPDECOJ-UHFFFAOYSA-N
XLogP5.39
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide
CID 134136300
5-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134139055
N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134145629
N-[4-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]phenyl]morpholine-4-carboxamide
CID 12979291
1-[3-[[3-(4-Fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 16746689
1-[3-[[3-(3,4-Difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 59849715
1-[3-[[3-(3,5-Difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 59849763
5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one
CID 136642751
1-[3-[[3-(3-Fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 143480965
1-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]-2-fluorophenyl]methyl]-3-(2-morpholin-4-ylethyl)-1-phenylurea
CID 171831879
N-[[3-fluoro-4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 171831918
1-[2-[5-(3,4-Dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 42817603

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide (CID 134135105) is N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide is Cc1ccc(C2(CCN3CCOCC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is WWQJGNLZPDECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35).
What are the key properties of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134135105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).