1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol

C15H19BrN2O — CID 67963767

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCCc1ccccc1
InChIInChI=1S/C15H19BrN2O/c1-2-18-15(13(16)11-17-18)14(19)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14,19H,2,6,9-10H2,1H3
InChIKeyVWTZHVPHZDSGGD-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol

1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol (PubChem CID 67963767) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
PubChem CID67963767
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCCc1ccccc1
InChIInChI=1S/C15H19BrN2O/c1-2-18-15(13(16)11-17-18)14(19)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14,19H,2,6,9-10H2,1H3
InChIKeyVWTZHVPHZDSGGD-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol (CID 67963767) is 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol is CCn1ncc(Br)c1C(O)CCCc1ccccc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol?
The InChIKey is VWTZHVPHZDSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-18-15(13(16)11-17-18)14(19)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14,19H,2,6,9-10H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol?
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 67963767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).