3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide

C20H21N3O2 — CID 812061

IUPAC3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)21-20(24)19-13-18(15-9-11-17(25-3)12-10-15)22-23(19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24)
InChIKeyPQCGYAJRJKPHLL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 812061) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID812061
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-14(2)21-20(24)19-13-18(15-9-11-17(25-3)12-10-15)22-23(19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24)
InChIKeyPQCGYAJRJKPHLL-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide (CID 812061) is 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is PQCGYAJRJKPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)21-20(24)19-13-18(15-9-11-17(25-3)12-10-15)22-23(19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24).
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 812061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).