(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol

C12H11BrClFN2O — CID 114635000

IUPAC(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrClFN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6,12,18H,2H2,1H3
InChIKeyNGHQZDBOGGPDNZ-UHFFFAOYSA-N
MW333.59 g/mol
LogP3.54
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol

(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol (PubChem CID 114635000) has the molecular formula C12H11BrClFN2O and a molecular weight of 333.59 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
PubChem CID114635000
Molecular FormulaC12H11BrClFN2O
Molecular Weight333.59 g/mol
Exact Mass331.97
IUPAC Name(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrClFN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6,12,18H,2H2,1H3
InChIKeyNGHQZDBOGGPDNZ-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol (CID 114635000) is (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol is CCn1ncc(Cl)c1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The InChIKey is NGHQZDBOGGPDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2O/c1-2-17-11(9(14)6-16-17)12(18)7-3-4-10(15)8(13)5-7/h3-6,12,18H,2H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol has a molecular weight of 333.59 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol is sourced from PubChem (CID 114635000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).