(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol

C15H19BrN2O — CID 114634828

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H19BrN2O/c1-5-18-14(12(16)8-17-18)15(19)13-10(3)6-9(2)7-11(13)4/h6-8,15,19H,5H2,1-4H3
InChIKeyYKIWCUHQODROLY-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.67
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 114634828) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
PubChem CID114634828
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H19BrN2O/c1-5-18-14(12(16)8-17-18)15(19)13-10(3)6-9(2)7-11(13)4/h6-8,15,19H,5H2,1-4H3
InChIKeyYKIWCUHQODROLY-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol
CID 114644778
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105336638

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol (CID 114634828) is (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol is CCn1ncc(Br)c1C(O)c1c(C)cc(C)cc1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is YKIWCUHQODROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-5-18-14(12(16)8-17-18)15(19)13-10(3)6-9(2)7-11(13)4/h6-8,15,19H,5H2,1-4H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 323.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 114634828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).