(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol

C14H17BrN2O2 — CID 114636384

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
SMILESCCn1ncc(Br)c1C(O)c1ccc(COC)cc1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-13(12(15)8-16-17)14(18)11-6-4-10(5-7-11)9-19-2/h4-8,14,18H,3,9H2,1-2H3
InChIKeySVMXQEKJUQONFR-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.89
Rot. Bonds5

About (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol

(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol (PubChem CID 114636384) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
PubChem CID114636384
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
SMILESCCn1ncc(Br)c1C(O)c1ccc(COC)cc1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-13(12(15)8-16-17)14(18)11-6-4-10(5-7-11)9-19-2/h4-8,14,18H,3,9H2,1-2H3
InChIKeySVMXQEKJUQONFR-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
1,3-benzodioxol-5-yl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114634633
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol (CID 114636384) is (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol is CCn1ncc(Br)c1C(O)c1ccc(COC)cc1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The InChIKey is SVMXQEKJUQONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-13(12(15)8-16-17)14(18)11-6-4-10(5-7-11)9-19-2/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol has a molecular weight of 325.21 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 114636384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).