(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol

C12H11Br2ClN2O — CID 107978678

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)7-3-8(13)5-9(14)4-7/h3-6,12,18H,2H2,1H3
InChIKeyBOFHAZBWTGBHRT-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.16
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol (PubChem CID 107978678) has the molecular formula C12H11Br2ClN2O and a molecular weight of 394.49 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
PubChem CID107978678
Molecular FormulaC12H11Br2ClN2O
Molecular Weight394.49 g/mol
Exact Mass391.89
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)7-3-8(13)5-9(14)4-7/h3-6,12,18H,2H2,1H3
InChIKeyBOFHAZBWTGBHRT-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
CID 105127770

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol (CID 107978678) is (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol is CCn1ncc(Cl)c1C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol?
The InChIKey is BOFHAZBWTGBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(15)6-16-17)12(18)7-3-8(13)5-9(14)4-7/h3-6,12,18H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol has a molecular weight of 394.49 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol is sourced from PubChem (CID 107978678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).