N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide

C30H34FN5O — CID 134136300

IUPACN-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCN3CCN(C)CC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C30H34FN5O/c1-23-8-10-25(11-9-23)30(16-17-35-20-18-34(2)19-21-35)22-28(24-6-4-3-5-7-24)33-36(30)29(37)32-27-14-12-26(31)13-15-27/h3-15H,16-22H2,1-2H3,(H,32,37)
InChIKeyJHWPILZYDOQKHY-UHFFFAOYSA-N
MW499.63 g/mol
LogP5.31
Rot. Bonds6

About N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134136300) has the molecular formula C30H34FN5O and a molecular weight of 499.63 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134136300
Molecular FormulaC30H34FN5O
Molecular Weight499.63 g/mol
Exact Mass499.27
IUPAC NameN-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCN3CCN(C)CC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C30H34FN5O/c1-23-8-10-25(11-9-23)30(16-17-35-20-18-34(2)19-21-35)22-28(24-6-4-3-5-7-24)33-36(30)29(37)32-27-14-12-26(31)13-15-27/h3-15H,16-22H2,1-2H3,(H,32,37)
InChIKeyJHWPILZYDOQKHY-UHFFFAOYSA-N
XLogP5.31
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10833431
3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 11841121
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134135105
5-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134139055
N-(4-fluorophenyl)-3-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134153846
N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134156846
5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299492
4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71453003
4-benzyl-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 71460194
1-(Benzhydrylideneamino)-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]urea
CID 155568362
5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 138968142
N,3,4-triphenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 67715761

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide (CID 134136300) is N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide is Cc1ccc(C2(CCN3CCN(C)CC3)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is JHWPILZYDOQKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O/c1-23-8-10-25(11-9-23)30(16-17-35-20-18-34(2)19-21-35)22-28(24-6-4-3-5-7-24)33-36(30)29(37)32-27-14-12-26(31)13-15-27/h3-15H,16-22H2,1-2H3,(H,32,37).
What are the key properties of N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 5.31, 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-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134136300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).