3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide

C19H20N4O2 — CID 119066173

IUPAC3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccccc3=O)[nH]n2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-6-8-15(9-7-14)16-13-17(22-21-16)19(25)20-10-4-12-23-11-3-2-5-18(23)24/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,20,25)(H,21,22)
InChIKeyJLUUEQKMRUVUJU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.37
Rot. Bonds6

About 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 119066173) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID119066173
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3ccccc3=O)[nH]n2)cc1
InChIInChI=1S/C19H20N4O2/c1-14-6-8-15(9-7-14)16-13-17(22-21-16)19(25)20-10-4-12-23-11-3-2-5-18(23)24/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,20,25)(H,21,22)
InChIKeyJLUUEQKMRUVUJU-UHFFFAOYSA-N
XLogP2.37
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990271
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19282946
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 118484167
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111938023

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide (CID 119066173) is 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3ccccc3=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JLUUEQKMRUVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-6-8-15(9-7-14)16-13-17(22-21-16)19(25)20-10-4-12-23-11-3-2-5-18(23)24/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119066173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).