5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one

C15H13ClN4O — CID 136710573

IUPAC5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
SMILESCn1nc(-c2ccc(=O)[nH]c2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H13ClN4O/c1-20-15(17)13(9-3-2-4-11(16)7-9)14(19-20)10-5-6-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21)
InChIKeyQYDBSVQOYRWPOJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.68
Rot. Bonds2

About 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one

5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one (PubChem CID 136710573) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
PubChem CID136710573
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
SMILESCn1nc(-c2ccc(=O)[nH]c2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H13ClN4O/c1-20-15(17)13(9-3-2-4-11(16)7-9)14(19-20)10-5-6-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21)
InChIKeyQYDBSVQOYRWPOJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710576
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one (CID 136710573) is 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one is Cn1nc(-c2ccc(=O)[nH]c2)c(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The InChIKey is QYDBSVQOYRWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-15(17)13(9-3-2-4-11(16)7-9)14(19-20)10-5-6-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21).
What are the key properties of 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136710573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).