(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol

C13H13BrCl2N2O — CID 114634680

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(9(14)7-17-18)13(19)8-4-3-5-10(15)11(8)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyVZDKSJWBBAKDEK-UHFFFAOYSA-N
MW364.07 g/mol
LogP4.44
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol (PubChem CID 114634680) has the molecular formula C13H13BrCl2N2O and a molecular weight of 364.07 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
PubChem CID114634680
Molecular FormulaC13H13BrCl2N2O
Molecular Weight364.07 g/mol
Exact Mass361.96
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(9(14)7-17-18)13(19)8-4-3-5-10(15)11(8)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyVZDKSJWBBAKDEK-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.07
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol (CID 114634680) is (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol is CCCn1ncc(Br)c1C(O)c1cccc(Cl)c1Cl.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol?
The InChIKey is VZDKSJWBBAKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2O/c1-2-6-18-12(9(14)7-17-18)13(19)8-4-3-5-10(15)11(8)16/h3-5,7,13,19H,2,6H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol has a molecular weight of 364.07 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 114634680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).