2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C15H8Cl3F3N4O — CID 137046860

IUPAC2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2[nH]ncc2Cl)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl3F3N4O/c16-8-2-1-6(4-9(8)17)3-7-12(15(19,20)21)23-13(24-14(7)26)11-10(18)5-22-25-11/h1-2,4-5H,3H2,(H,22,25)(H,23,24,26)
InChIKeyHAGMGEDYUVNFCZ-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137046860) has the molecular formula C15H8Cl3F3N4O and a molecular weight of 423.61 g/mol. Its IUPAC name is 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID137046860
Molecular FormulaC15H8Cl3F3N4O
Molecular Weight423.61 g/mol
Exact Mass421.97
IUPAC Name2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2[nH]ncc2Cl)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl3F3N4O/c16-8-2-1-6(4-9(8)17)3-7-12(15(19,20)21)23-13(24-14(7)26)11-10(18)5-22-25-11/h1-2,4-5H,3H2,(H,22,25)(H,23,24,26)
InChIKeyHAGMGEDYUVNFCZ-UHFFFAOYSA-N
XLogP4.73
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[(4-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137151599
5-[(3,4-dichlorophenyl)methyl]-2-(oxan-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137045577
5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 158418419
5-[(3,4-dichlorophenyl)methyl]-4-(2-fluorobutan-2-yl)-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
CID 137150241
2-[5-[(3-chlorophenyl)methyl]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetamide
CID 137078822
5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 2730678
5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137254865
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(3,4-dichlorophenoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137046924
2-[6-oxo-4-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]acetamide
CID 137078821
5-(3,4-dichlorophenoxy)-2-(4-ethyl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 160710329
5-[[4-chloro-3-(3-methylhexa-1,4-dien-3-yl)phenyl]methyl]-4-(2-fluoro-3-methylbut-3-en-2-yl)-2-(1H-pyrazol-4-ylamino)-1H-pyrimidin-6-one
CID 137057548
5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137046938

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 137046860) is 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2[nH]ncc2Cl)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is HAGMGEDYUVNFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3F3N4O/c16-8-2-1-6(4-9(8)17)3-7-12(15(19,20)21)23-13(24-14(7)26)11-10(18)5-22-25-11/h1-2,4-5H,3H2,(H,22,25)(H,23,24,26).
What are the key properties of 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 423.61 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-pyrazol-5-yl)-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137046860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).