(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol

C15H19BrN2O — CID 114634794

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccc(CC)cc1
InChIInChI=1S/C15H19BrN2O/c1-3-9-18-14(13(16)10-17-18)15(19)12-7-5-11(4-2)6-8-12/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyBWGFMGFNKVVEFI-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.70
Rot. Bonds5

About (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol (PubChem CID 114634794) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
PubChem CID114634794
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccc(CC)cc1
InChIInChI=1S/C15H19BrN2O/c1-3-9-18-14(13(16)10-17-18)15(19)12-7-5-11(4-2)6-8-12/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyBWGFMGFNKVVEFI-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
3-[(4-bromo-1-propylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637584
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol (CID 114634794) is (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol is CCCn1ncc(Br)c1C(O)c1ccc(CC)cc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol?
The InChIKey is BWGFMGFNKVVEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-9-18-14(13(16)10-17-18)15(19)12-7-5-11(4-2)6-8-12/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol has a molecular weight of 323.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol is sourced from PubChem (CID 114634794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).