(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone

C14H14BrFN2O — CID 114639719

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H14BrFN2O/c1-3-6-18-13(12(15)8-17-18)14(19)11-7-10(16)5-4-9(11)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHCDGPFUPTHVJGW-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.73
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 114639719) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID114639719
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H14BrFN2O/c1-3-6-18-13(12(15)8-17-18)14(19)11-7-10(16)5-4-9(11)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHCDGPFUPTHVJGW-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(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-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 115805999
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642301
(4-bromo-1-propylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 114639597
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dimethoxyphenyl)methanone
CID 115804636
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone (CID 114639719) is (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone is CCCn1ncc(Br)c1C(=O)c1cc(F)ccc1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is HCDGPFUPTHVJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-3-6-18-13(12(15)8-17-18)14(19)11-7-10(16)5-4-9(11)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 325.18 g/mol, XLogP of 3.73, 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)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 114639719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).