(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone

C10H9BrN4O — CID 114639327

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
SMILESCCn1ncc(Br)c1C(=O)c1ncccn1
InChIInChI=1S/C10H9BrN4O/c1-2-15-8(7(11)6-14-15)9(16)10-12-4-3-5-13-10/h3-6H,2H2,1H3
InChIKeyPYEHVQAFXAFUNO-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.69
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone

(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone (PubChem CID 114639327) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
PubChem CID114639327
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
SMILESCCn1ncc(Br)c1C(=O)c1ncccn1
InChIInChI=1S/C10H9BrN4O/c1-2-15-8(7(11)6-14-15)9(16)10-12-4-3-5-13-10/h3-6H,2H2,1H3
InChIKeyPYEHVQAFXAFUNO-UHFFFAOYSA-N
XLogP1.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone 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

(4-bromo-1-ethylpyrazol-5-yl)-isoquinolin-1-ylmethanone
CID 114640184
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
CID 105130247
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
(4-bromo-1-propylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 114639597
(4-bromo-1-ethylpyrazol-5-yl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950211

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone (CID 114639327) is (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone is CCn1ncc(Br)c1C(=O)c1ncccn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone?
The InChIKey is PYEHVQAFXAFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-2-15-8(7(11)6-14-15)9(16)10-12-4-3-5-13-10/h3-6H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone?
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone has a molecular weight of 281.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 114639327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).