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

C15H13ClN4O — CID 136710576

IUPAC5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
SMILESCn1nc(-c2ccc(=O)[nH]c2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H13ClN4O/c1-20-15(17)13(9-2-5-11(16)6-3-9)14(19-20)10-4-7-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21)
InChIKeyMDGDFLZTHNATOB-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.68
Rot. Bonds2

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

5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one (PubChem CID 136710576) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
PubChem CID136710576
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
SMILESCn1nc(-c2ccc(=O)[nH]c2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H13ClN4O/c1-20-15(17)13(9-2-5-11(16)6-3-9)14(19-20)10-4-7-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21)
InChIKeyMDGDFLZTHNATOB-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-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
3-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]-1H-pyridin-4-one
CID 136812360
4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122906
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
CID 62828575
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one (CID 136710576) is 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one is Cn1nc(-c2ccc(=O)[nH]c2)c(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
The InChIKey is MDGDFLZTHNATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-15(17)13(9-2-5-11(16)6-3-9)14(19-20)10-4-7-12(21)18-8-10/h2-8H,17H2,1H3,(H,18,21).
What are the key properties of 5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one?
5-[5-amino-4-(4-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-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136710576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).