N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide

C18H12ClFN4O — CID 39853512

IUPACN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1
InChIInChI=1S/C18H12ClFN4O/c19-16-11-24(10-13-3-7-15(20)8-4-13)23-17(16)22-18(25)14-5-1-12(9-21)2-6-14/h1-8,11H,10H2,(H,22,23,25)
InChIKeySCTWPWRKBHOIIS-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.85
Rot. Bonds4

About N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide (PubChem CID 39853512) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide
PubChem CID39853512
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1
InChIInChI=1S/C18H12ClFN4O/c19-16-11-24(10-13-3-7-15(20)8-4-13)23-17(16)22-18(25)14-5-1-12(9-21)2-6-14/h1-8,11H,10H2,(H,22,23,25)
InChIKeySCTWPWRKBHOIIS-UHFFFAOYSA-N
XLogP3.85
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19409145
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409199
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474417
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19396648
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
4-[[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutanoic acid
CID 39853514
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
4-bromo-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398624

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide?
The IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide (CID 39853512) is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide?
The canonical SMILES for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1.
What is the InChIKey of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide?
The InChIKey is SCTWPWRKBHOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-16-11-24(10-13-3-7-15(20)8-4-13)23-17(16)22-18(25)14-5-1-12(9-21)2-6-14/h1-8,11H,10H2,(H,22,23,25).
What are the key properties of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide?
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide has a molecular weight of 354.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-cyanobenzamide is sourced from PubChem (CID 39853512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).