5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one

C21H17ClN4O2 — CID 135355664

IUPAC5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3Cl)c2)cc1=O
InChIInChI=1S/C21H17ClN4O2/c1-24-8-7-14(9-20(24)27)16-10-21(28)25(2)13-17(16)15-11-23-26(12-15)19-6-4-3-5-18(19)22/h3-13H,1-2H3
InChIKeyQISVCEIPUIQHSS-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one

5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one (PubChem CID 135355664) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
PubChem CID135355664
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3Cl)c2)cc1=O
InChIInChI=1S/C21H17ClN4O2/c1-24-8-7-14(9-20(24)27)16-10-21(28)25(2)13-17(16)15-11-23-26(12-15)19-6-4-3-5-18(19)22/h3-13H,1-2H3
InChIKeyQISVCEIPUIQHSS-UHFFFAOYSA-N
XLogP3.26
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The IUPAC name of 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one (CID 135355664) is 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one.
What is the SMILES notation for 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The canonical SMILES for 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one is Cn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3Cl)c2)cc1=O.
What is the InChIKey of 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The InChIKey is QISVCEIPUIQHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-24-8-7-14(9-20(24)27)16-10-21(28)25(2)13-17(16)15-11-23-26(12-15)19-6-4-3-5-18(19)22/h3-13H,1-2H3.
What are the key properties of 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one has a molecular weight of 392.85 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one is sourced from PubChem (CID 135355664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).