(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone

C11H13BrN4O — CID 114642221

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cncn1C
InChIInChI=1S/C11H13BrN4O/c1-3-4-16-10(8(12)5-14-16)11(17)9-6-13-7-15(9)2/h5-7H,3-4H2,1-2H3
InChIKeySWLDUOPPQIOSJE-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.02
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 114642221) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID114642221
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cncn1C
InChIInChI=1S/C11H13BrN4O/c1-3-4-16-10(8(12)5-14-16)11(17)9-6-13-7-15(9)2/h5-7H,3-4H2,1-2H3
InChIKeySWLDUOPPQIOSJE-UHFFFAOYSA-N
XLogP2.02
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125364
(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)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone (CID 114642221) is (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone is CCCn1ncc(Br)c1C(=O)c1cncn1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is SWLDUOPPQIOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-3-4-16-10(8(12)5-14-16)11(17)9-6-13-7-15(9)2/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 297.16 g/mol, XLogP of 2.02, 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)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 114642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).