(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol

C12H11Br2ClN2O — CID 114637363

IUPAC(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6,12,18H,2H2,1H3
InChIKeyNBHVNBFJPWXZHJ-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.16
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol

(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol (PubChem CID 114637363) has the molecular formula C12H11Br2ClN2O and a molecular weight of 394.49 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
PubChem CID114637363
Molecular FormulaC12H11Br2ClN2O
Molecular Weight394.49 g/mol
Exact Mass391.89
IUPAC Name(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6,12,18H,2H2,1H3
InChIKeyNBHVNBFJPWXZHJ-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

(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol
CID 114644778
(2-amino-4-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 114643754
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol (CID 114637363) is (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol is CCn1ncc(Br)c1C(O)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol?
The InChIKey is NBHVNBFJPWXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6,12,18H,2H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol?
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)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 (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol is sourced from PubChem (CID 114637363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).