(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol

C13H13BrCl2N2O — CID 115835323

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-5-8(15)3-4-11(9)16/h3-7,13,19H,1-2H3
InChIKeyBORSYYKMHMGIDQ-UHFFFAOYSA-N
MW364.07 g/mol
LogP4.61
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol (PubChem CID 115835323) has the molecular formula C13H13BrCl2N2O and a molecular weight of 364.07 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
PubChem CID115835323
Molecular FormulaC13H13BrCl2N2O
Molecular Weight364.07 g/mol
Exact Mass361.96
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13BrCl2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-5-8(15)3-4-11(9)16/h3-7,13,19H,1-2H3
InChIKeyBORSYYKMHMGIDQ-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.07
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol (CID 115835323) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol is CC(C)n1ncc(Br)c1C(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol?
The InChIKey is BORSYYKMHMGIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2O/c1-7(2)18-12(10(14)6-17-18)13(19)9-5-8(15)3-4-11(9)16/h3-7,13,19H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol has a molecular weight of 364.07 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 115835323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).