(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone

C11H11BrN4O — CID 114640203

IUPAC(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccncn1
InChIInChI=1S/C11H11BrN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7H,2,5H2,1H3
InChIKeyBFPNQCSNBLEXIZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.08
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone

(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone (PubChem CID 114640203) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
PubChem CID114640203
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)c1ccncn1
InChIInChI=1S/C11H11BrN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7H,2,5H2,1H3
InChIKeyBFPNQCSNBLEXIZ-UHFFFAOYSA-N
XLogP2.08
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
(4-bromo-1-propylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 114639597
(4-bromo-1-propylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanone
CID 103373349
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114638949
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642301
(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
CID 115804705

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone (CID 114640203) is (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone is CCCn1ncc(Br)c1C(=O)c1ccncn1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone?
The InChIKey is BFPNQCSNBLEXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-5-16-10(8(12)6-15-16)11(17)9-3-4-13-7-14-9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone?
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone has a molecular weight of 295.14 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 114640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).