N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide

C12H14N4O2 — CID 110467791

IUPACN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1=NNC(=O)C1
InChIInChI=1S/C12H14N4O2/c1-16(7-4-9-2-5-13-6-3-9)12(18)10-8-11(17)15-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,15,17)
InChIKeyLKQGZHGTRXPQDR-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.04
Rot. Bonds4

About N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide

N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467791) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467791
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1=NNC(=O)C1
InChIInChI=1S/C12H14N4O2/c1-16(7-4-9-2-5-13-6-3-9)12(18)10-8-11(17)15-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,15,17)
InChIKeyLKQGZHGTRXPQDR-UHFFFAOYSA-N
XLogP-0.04
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide (CID 110467791) is N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide is CN(CCc1ccncc1)C(=O)C1=NNC(=O)C1.
What is the InChIKey of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is LKQGZHGTRXPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(7-4-9-2-5-13-6-3-9)12(18)10-8-11(17)15-14-10/h2-3,5-6H,4,7-8H2,1H3,(H,15,17).
What are the key properties of N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide?
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).