5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C27H27N3O — CID 158341999

IUPAC5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(Cc4ccccc4)cc3)c2C(N)=O)cc1
InChIInChI=1S/C27H27N3O/c1-19-7-9-20(10-8-19)15-16-24-26(27(28)31)25(30-29-24)18-23-13-11-22(12-14-23)17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,28,31)(H,29,30)
InChIKeyGQXZPTPZZPABEO-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.78
Rot. Bonds8

About 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 158341999) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID158341999
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(Cc4ccccc4)cc3)c2C(N)=O)cc1
InChIInChI=1S/C27H27N3O/c1-19-7-9-20(10-8-19)15-16-24-26(27(28)31)25(30-29-24)18-23-13-11-22(12-14-23)17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,28,31)(H,29,30)
InChIKeyGQXZPTPZZPABEO-UHFFFAOYSA-N
XLogP4.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 158341999) is 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCc2n[nH]c(Cc3ccc(Cc4ccccc4)cc3)c2C(N)=O)cc1.
What is the InChIKey of 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is GQXZPTPZZPABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-19-7-9-20(10-8-19)15-16-24-26(27(28)31)25(30-29-24)18-23-13-11-22(12-14-23)17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,28,31)(H,29,30).
What are the key properties of 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158341999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).