(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C15H16BrClN2O — CID 114642895

IUPAC(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3
InChIKeyQZFQELWEFYXINX-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.56
Rot. Bonds4

About (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 114642895) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID114642895
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3
InChIKeyQZFQELWEFYXINX-UHFFFAOYSA-N
XLogP4.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
(3-bromo-5-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107944833

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 114642895) is (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is QZFQELWEFYXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-4-5-19-14(12(17)8-18-19)15(20)11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 355.66 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).