5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide

C11H12N4O — CID 47293095

IUPAC5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)n[nH]1
InChIInChI=1S/C11H12N4O/c1-8-6-10(15-14-8)11(16)13-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyIMJJJUHVEUEXAO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.04
Rot. Bonds3

About 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide

5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 47293095) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID47293095
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)n[nH]1
InChIInChI=1S/C11H12N4O/c1-8-6-10(15-14-8)11(16)13-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyIMJJJUHVEUEXAO-UHFFFAOYSA-N
XLogP1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
US10022354, Example 71
CID 121279677
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
5-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5726253
5-tert-butyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862370
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
5-propan-2-yl-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 44723927

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 47293095) is 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccn2)n[nH]1.
What is the InChIKey of 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IMJJJUHVEUEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-6-10(15-14-8)11(16)13-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47293095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).