N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide

C32H29N3O2 — CID 3434474

IUPACN-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H29N3O2/c1-37-29-19-17-28(18-20-29)35-31(23-30(33-35)27-15-9-4-10-16-27)32(36)34(24-26-13-7-3-8-14-26)22-21-25-11-5-2-6-12-25/h2-20,23H,21-22,24H2,1H3
InChIKeyKIWLLOUQENJHDR-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.43
Rot. Bonds9

About N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide

N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 3434474) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID3434474
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC NameN-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H29N3O2/c1-37-29-19-17-28(18-20-29)35-31(23-30(33-35)27-15-9-4-10-16-27)32(36)34(24-26-13-7-3-8-14-26)22-21-25-11-5-2-6-12-25/h2-20,23H,21-22,24H2,1H3
InChIKeyKIWLLOUQENJHDR-UHFFFAOYSA-N
XLogP6.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662448
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42758246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 3434474) is N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is KIWLLOUQENJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-37-29-19-17-28(18-20-29)35-31(23-30(33-35)27-15-9-4-10-16-27)32(36)34(24-26-13-7-3-8-14-26)22-21-25-11-5-2-6-12-25/h2-20,23H,21-22,24H2,1H3.
What are the key properties of N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3434474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).