5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one

C14H10BrClN4O — CID 114583577

IUPAC5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10BrClN4O/c15-12-13(16)17-9-19(14(12)21)7-10-6-18-20(8-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2
InChIKeyVSFXYWBVJOFNAY-UHFFFAOYSA-N
MW365.62 g/mol
LogP2.89
Rot. Bonds3

About 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one

5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 114583577) has the molecular formula C14H10BrClN4O and a molecular weight of 365.62 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
PubChem CID114583577
Molecular FormulaC14H10BrClN4O
Molecular Weight365.62 g/mol
Exact Mass363.97
IUPAC Name5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10BrClN4O/c15-12-13(16)17-9-19(14(12)21)7-10-6-18-20(8-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2
InChIKeyVSFXYWBVJOFNAY-UHFFFAOYSA-N
XLogP2.89
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-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

5-bromo-6-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66308350
6-chloro-5-iodo-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 114584007
5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
5-bromo-6-chloro-3-[(3-nitrophenyl)methyl]pyrimidin-4-one
CID 114583616
3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210
5-bromo-6-chloro-3-(1,3-thiazol-5-ylmethyl)pyrimidin-4-one
CID 114583726
4-bromo-3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyrazole
CID 61193654
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one (CID 114583577) is 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is VSFXYWBVJOFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4O/c15-12-13(16)17-9-19(14(12)21)7-10-6-18-20(8-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2.
What are the key properties of 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 365.62 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).