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

C13H16N4O2 — CID 110600687

IUPACN-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C13H16N4O2/c1-2-17(8-5-10-3-6-14-7-4-10)13(19)11-9-12(18)16-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,16,18)
InChIKeyNABVSLBBXVYIEK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds5

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

N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600687) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600687
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C13H16N4O2/c1-2-17(8-5-10-3-6-14-7-4-10)13(19)11-9-12(18)16-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,16,18)
InChIKeyNABVSLBBXVYIEK-UHFFFAOYSA-N
XLogP0.80
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750
N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849774
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-4-carboxamide
CID 110694438
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
5-chloro-N-ethyl-4-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide (CID 110600687) is N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide is CCN(CCc1ccncc1)C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is NABVSLBBXVYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-17(8-5-10-3-6-14-7-4-10)13(19)11-9-12(18)16-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,16,18).
What are the key properties of N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide?
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).