(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol

C13H14BrClN2O — CID 66156283

IUPAC(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2O/c1-2-7-17-12(5-6-16-17)13(18)10-8-9(15)3-4-11(10)14/h3-6,8,13,18H,2,7H2,1H3
InChIKeyAASPKBYACFLRHV-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.79
Rot. Bonds4

About (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol

(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 66156283) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID66156283
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2O/c1-2-7-17-12(5-6-16-17)13(18)10-8-9(15)3-4-11(10)14/h3-6,8,13,18H,2,7H2,1H3
InChIKeyAASPKBYACFLRHV-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol (CID 66156283) is (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is AASPKBYACFLRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-2-7-17-12(5-6-16-17)13(18)10-8-9(15)3-4-11(10)14/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol?
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 329.63 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 66156283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).