1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C13H16N4O — CID 110681696

IUPAC1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C13H16N4O/c1-3-17-10(2)8-12(16-17)13(18)15-9-11-4-6-14-7-5-11/h4-8H,3,9H2,1-2H3,(H,15,18)
InChIKeyIKDFVKLNTNYVRX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.54
Rot. Bonds4

About 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110681696) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID110681696
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C13H16N4O/c1-3-17-10(2)8-12(16-17)13(18)15-9-11-4-6-14-7-5-11/h4-8H,3,9H2,1-2H3,(H,15,18)
InChIKeyIKDFVKLNTNYVRX-UHFFFAOYSA-N
XLogP1.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 46104502
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
CID 90975733
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 110681696) is 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccncc2)cc1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IKDFVKLNTNYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-10(2)8-12(16-17)13(18)15-9-11-4-6-14-7-5-11/h4-8H,3,9H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110681696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).