1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one

C16H14Cl2N4O — CID 667198

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one
SMILESCc1cc(C)n(-c2ccn(Cc3ccc(Cl)cc3Cl)c(=O)n2)n1
InChIInChI=1S/C16H14Cl2N4O/c1-10-7-11(2)22(20-10)15-5-6-21(16(23)19-15)9-12-3-4-13(17)8-14(12)18/h3-8H,9H2,1-2H3
InChIKeyBMEOIPBMYAMUNP-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one

1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one (PubChem CID 667198) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one
PubChem CID667198
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one
SMILESCc1cc(C)n(-c2ccn(Cc3ccc(Cl)cc3Cl)c(=O)n2)n1
InChIInChI=1S/C16H14Cl2N4O/c1-10-7-11(2)22(20-10)15-5-6-21(16(23)19-15)9-12-3-4-13(17)8-14(12)18/h3-8H,9H2,1-2H3
InChIKeyBMEOIPBMYAMUNP-UHFFFAOYSA-N
XLogP3.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione
CID 42476399
1-[(2,4-dichlorophenyl)methyl]-4-hex-4-enoxypyrimidin-2-one
CID 67306040
1-[(2,4-dichlorophenyl)methyl]-4-[(E)-hex-4-enoxy]pyrimidin-2-one
CID 67306039
1-[(2,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-5H-purin-7-ium-2,6-dione
CID 73337963
1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 962381
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
CID 67305124
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 114760860
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305571
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one (CID 667198) is 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one is Cc1cc(C)n(-c2ccn(Cc3ccc(Cl)cc3Cl)c(=O)n2)n1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one?
The InChIKey is BMEOIPBMYAMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-10-7-11(2)22(20-10)15-5-6-21(16(23)19-15)9-12-3-4-13(17)8-14(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one?
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one has a molecular weight of 349.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-one is sourced from PubChem (CID 667198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).