(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone

C15H17BrN2O — CID 114026886

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1c(C)cccc1C
InChIInChI=1S/C15H17BrN2O/c1-4-8-18-14(12(16)9-17-18)15(19)13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3
InChIKeyGKTVHVQADWEAFP-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.90
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone (PubChem CID 114026886) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
PubChem CID114026886
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1c(C)cccc1C
InChIInChI=1S/C15H17BrN2O/c1-4-8-18-14(12(16)9-17-18)15(19)13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3
InChIKeyGKTVHVQADWEAFP-UHFFFAOYSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 114639597
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-propylpyrazol-5-yl)-(4-methylsulfonylphenyl)methanone
CID 115804705
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642301
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802906
(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-propylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130506
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone (CID 114026886) is (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1c(C)cccc1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone?
The InChIKey is GKTVHVQADWEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-4-8-18-14(12(16)9-17-18)15(19)13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone has a molecular weight of 321.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 114026886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).