(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol

C15H19BrN2O2 — CID 114636389

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccc(C(O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-14(13(16)8-17-18)15(19)12-6-4-11(5-7-12)9-20-3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyNKDANJXXRFSHPH-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.45
Rot. Bonds5

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol (PubChem CID 114636389) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
PubChem CID114636389
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccc(C(O)c2c(Br)cnn2C(C)C)cc1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-14(13(16)8-17-18)15(19)12-6-4-11(5-7-12)9-20-3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyNKDANJXXRFSHPH-UHFFFAOYSA-N
XLogP3.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756354
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol (CID 114636389) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol is COCc1ccc(C(O)c2c(Br)cnn2C(C)C)cc1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
The InChIKey is NKDANJXXRFSHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)18-14(13(16)8-17-18)15(19)12-6-4-11(5-7-12)9-20-3/h4-8,10,15,19H,9H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol has a molecular weight of 339.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 114636389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).