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

C21H23N3O2 — CID 46104554

IUPAC1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-24-20(17-9-11-18(26-2)12-10-17)15-19(23-24)21(25)22-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyCGWZOLFAAHJSOC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds7

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

1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide (PubChem CID 46104554) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
PubChem CID46104554
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-24-20(17-9-11-18(26-2)12-10-17)15-19(23-24)21(25)22-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyCGWZOLFAAHJSOC-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 42343543
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 42878892
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662434

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide (CID 46104554) is 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCCc2ccccc2)cc1-c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is CGWZOLFAAHJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-24-20(17-9-11-18(26-2)12-10-17)15-19(23-24)21(25)22-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide?
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46104554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).