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

C32H27Cl2N3O2 — CID 42662448

IUPACN-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C32H27Cl2N3O2/c1-39-27-14-8-13-25(19-27)30-21-31(37(35-30)26-15-16-28(33)29(34)20-26)32(38)36(22-24-11-6-3-7-12-24)18-17-23-9-4-2-5-10-23/h2-16,19-21H,17-18,22H2,1H3
InChIKeyNWGSSMUAYIJCNY-UHFFFAOYSA-N
MW556.49 g/mol
LogP7.74
Rot. Bonds9

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

N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 42662448) has the molecular formula C32H27Cl2N3O2 and a molecular weight of 556.49 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID42662448
Molecular FormulaC32H27Cl2N3O2
Molecular Weight556.49 g/mol
Exact Mass555.15
IUPAC NameN-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C32H27Cl2N3O2/c1-39-27-14-8-13-25(19-27)30-21-31(37(35-30)26-15-16-28(33)29(34)20-26)32(38)36(22-24-11-6-3-7-12-24)18-17-23-9-4-2-5-10-23/h2-16,19-21H,17-18,22H2,1H3
InChIKeyNWGSSMUAYIJCNY-UHFFFAOYSA-N
XLogP7.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.49
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
1-(3,4-dichlorophenyl)-N-[(1S)-1,2-diphenylethyl]-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 98425704
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
[1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 5097237
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 42662448) is N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is NWGSSMUAYIJCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27Cl2N3O2/c1-39-27-14-8-13-25(19-27)30-21-31(37(35-30)26-15-16-28(33)29(34)20-26)32(38)36(22-24-11-6-3-7-12-24)18-17-23-9-4-2-5-10-23/h2-16,19-21H,17-18,22H2,1H3.
What are the key properties of N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 556.49 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42662448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).