(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C13H11BrCl2N2O — CID 107996709

IUPAC(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H11BrCl2N2O/c1-2-5-18-12(11(16)7-17-18)13(19)9-4-3-8(15)6-10(9)14/h3-4,6-7H,2,5H2,1H3
InChIKeyXACNDAZJWSDPHM-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.59
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 107996709) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID107996709
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H11BrCl2N2O/c1-2-5-18-12(11(16)7-17-18)13(19)9-4-3-8(15)6-10(9)14/h3-4,6-7H,2,5H2,1H3
InChIKeyXACNDAZJWSDPHM-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 115805645
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorophenyl)methanone
CID 115802609

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 107996709) is (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is XACNDAZJWSDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-2-5-18-12(11(16)7-17-18)13(19)9-4-3-8(15)6-10(9)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 362.05 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 107996709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).