1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide

C18H18N4O2 — CID 42879359

IUPAC1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccccc2OC)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C18H18N4O2/c1-3-22-16(18(23)20-13-7-6-10-19-12-13)11-15(21-22)14-8-4-5-9-17(14)24-2/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyWJICMJXNEWTQLK-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.23
Rot. Bonds5

About 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide

1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide (PubChem CID 42879359) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
PubChem CID42879359
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccccc2OC)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C18H18N4O2/c1-3-22-16(18(23)20-13-7-6-10-19-12-13)11-15(21-22)14-8-4-5-9-17(14)24-2/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyWJICMJXNEWTQLK-UHFFFAOYSA-N
XLogP3.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-pyridin-3-yl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879297
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 46105523
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
CID 42879228
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide (CID 42879359) is 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide is CCn1nc(-c2ccccc2OC)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide?
The InChIKey is WJICMJXNEWTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-22-16(18(23)20-13-7-6-10-19-12-13)11-15(21-22)14-8-4-5-9-17(14)24-2/h4-12H,3H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide?
1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42879359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).