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

C20H22N4O2 — CID 46171104

IUPAC1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccn2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O2/c1-3-24-19(15-7-9-17(26-2)10-8-15)14-18(23-24)20(25)22-13-11-16-6-4-5-12-21-16/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)
InChIKeyHXABJCZSSZGHGH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.95
Rot. Bonds7

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

1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 46171104) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
PubChem CID46171104
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccccn2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O2/c1-3-24-19(15-7-9-17(26-2)10-8-15)14-18(23-24)20(25)22-13-11-16-6-4-5-12-21-16/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)
InChIKeyHXABJCZSSZGHGH-UHFFFAOYSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42755416
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (CID 46171104) is 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCCc2ccccn2)cc1-c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is HXABJCZSSZGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-24-19(15-7-9-17(26-2)10-8-15)14-18(23-24)20(25)22-13-11-16-6-4-5-12-21-16/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25).
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46171104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).