5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine

C10H10BrClN4 — CID 114556697

IUPAC5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1ncc(Br)c(Cl)n1
InChIInChI=1S/C10H10BrClN4/c1-2-5-16-8(3-4-14-16)10-13-6-7(11)9(12)15-10/h3-4,6H,2,5H2,1H3
InChIKeyQVGFMRZEMMUAEW-UHFFFAOYSA-N
MW301.58 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine

5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine (PubChem CID 114556697) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
PubChem CID114556697
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
SMILESCCCn1nccc1-c1ncc(Br)c(Cl)n1
InChIInChI=1S/C10H10BrClN4/c1-2-5-16-8(3-4-14-16)10-13-6-7(11)9(12)15-10/h3-4,6H,2,5H2,1H3
InChIKeyQVGFMRZEMMUAEW-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine 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

N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557298
2-chloro-5-fluoro-4-(2-propylpyrazol-3-yl)pyrimidine
CID 79078668
5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 114554374
5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557366
7,7-dimethyl-2-(2-propylpyrazol-3-yl)-6,8-dihydro-5H-quinazolin-5-amine
CID 114557218
4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
CID 114556671
5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557383
5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine
CID 114050342
5,6-dimethyl-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557302
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
5-bromo-4-chloro-1-propylpyrazole
CID 164664603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine (CID 114556697) is 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine is CCCn1nccc1-c1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine?
The InChIKey is QVGFMRZEMMUAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c1-2-5-16-8(3-4-14-16)10-13-6-7(11)9(12)15-10/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine?
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine has a molecular weight of 301.58 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 114556697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).