N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

C35H35N3O — CID 42758246

IUPACN-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C35H35N3O/c1-25-15-16-27(3)33(21-25)38-34(23-32(36-38)31-18-17-26(2)28(4)22-31)35(39)37(24-30-13-9-6-10-14-30)20-19-29-11-7-5-8-12-29/h5-18,21-23H,19-20,24H2,1-4H3
InChIKeyGTKLJVJWAGEPCH-UHFFFAOYSA-N
MW513.69 g/mol
LogP7.66
Rot. Bonds8

About N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 42758246) has the molecular formula C35H35N3O and a molecular weight of 513.69 g/mol. Its IUPAC name is N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID42758246
Molecular FormulaC35H35N3O
Molecular Weight513.69 g/mol
Exact Mass513.28
IUPAC NameN-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C35H35N3O/c1-25-15-16-27(3)33(21-25)38-34(23-32(36-38)31-18-17-26(2)28(4)22-31)35(39)37(24-30-13-9-6-10-14-30)20-19-29-11-7-5-8-12-29/h5-18,21-23H,19-20,24H2,1-4H3
InChIKeyGTKLJVJWAGEPCH-UHFFFAOYSA-N
XLogP7.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
N-benzyl-3-(2,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 3879204
N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 5239441
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-(2-cyanoethyl)-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755412
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660639
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662448
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 42758246) is N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is GTKLJVJWAGEPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O/c1-25-15-16-27(3)33(21-25)38-34(23-32(36-38)31-18-17-26(2)28(4)22-31)35(39)37(24-30-13-9-6-10-14-30)20-19-29-11-7-5-8-12-29/h5-18,21-23H,19-20,24H2,1-4H3.
What are the key properties of N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 513.69 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42758246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).