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

C32H28ClN3O2 — CID 3371409

IUPACN-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H28ClN3O2/c1-38-27-18-16-26(17-19-27)36-31(22-30(34-36)28-14-8-9-15-29(28)33)32(37)35(23-25-12-6-3-7-13-25)21-20-24-10-4-2-5-11-24/h2-19,22H,20-21,23H2,1H3
InChIKeySZRYATRMOHOJKI-UHFFFAOYSA-N
MW522.05 g/mol
LogP7.09
Rot. Bonds9

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

N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 3371409) has the molecular formula C32H28ClN3O2 and a molecular weight of 522.05 g/mol. Its IUPAC name is N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID3371409
Molecular FormulaC32H28ClN3O2
Molecular Weight522.05 g/mol
Exact Mass521.19
IUPAC NameN-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H28ClN3O2/c1-38-27-18-16-26(17-19-27)36-31(22-30(34-36)28-14-8-9-15-29(28)33)32(37)35(23-25-12-6-3-7-13-25)21-20-24-10-4-2-5-11-24/h2-19,22H,20-21,23H2,1H3
InChIKeySZRYATRMOHOJKI-UHFFFAOYSA-N
XLogP7.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.05
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662448
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 3371409) is N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is SZRYATRMOHOJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClN3O2/c1-38-27-18-16-26(17-19-27)36-31(22-30(34-36)28-14-8-9-15-29(28)33)32(37)35(23-25-12-6-3-7-13-25)21-20-24-10-4-2-5-11-24/h2-19,22H,20-21,23H2,1H3.
What are the key properties of N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 522.05 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3371409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).