N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide

C18H13BrN4O — CID 35277892

IUPACN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H13BrN4O/c19-16-7-3-14(4-8-16)11-23-12-17(10-21-23)22-18(24)15-5-1-13(9-20)2-6-15/h1-8,10,12H,11H2,(H,22,24)
InChIKeySCZNOSQYQKBQNZ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.82
Rot. Bonds4

About N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide (PubChem CID 35277892) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
PubChem CID35277892
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H13BrN4O/c19-16-7-3-14(4-8-16)11-23-12-17(10-21-23)22-18(24)15-5-1-13(9-20)2-6-15/h1-8,10,12H,11H2,(H,22,24)
InChIKeySCZNOSQYQKBQNZ-UHFFFAOYSA-N
XLogP3.82
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19403933
3-[4-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471227
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
2-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]pyridine-2,5-dicarboxamide
CID 56654434
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19403842
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide (CID 35277892) is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide?
The InChIKey is SCZNOSQYQKBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-16-7-3-14(4-8-16)11-23-12-17(10-21-23)22-18(24)15-5-1-13(9-20)2-6-15/h1-8,10,12H,11H2,(H,22,24).
What are the key properties of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide?
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide has a molecular weight of 381.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide is sourced from PubChem (CID 35277892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).