3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol

C17H25N3O — CID 141003905

IUPAC3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol
SMILESCCc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-17(18)20(19-15)16(13(2)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16,21H,3,7,10-11,18H2,1-2H3
InChIKeyJSHLWCCUWNPSIY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.97
Rot. Bonds7

About 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol

3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol (PubChem CID 141003905) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol.

Molecular Properties

Compound Name3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol
PubChem CID141003905
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol
SMILESCCc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-17(18)20(19-15)16(13(2)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16,21H,3,7,10-11,18H2,1-2H3
InChIKeyJSHLWCCUWNPSIY-UHFFFAOYSA-N
XLogP2.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol
CID 141003923
2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
3-methyl-6-phenylhexan-2-ol
CID 54498182
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
2-methyl-7-phenylheptan-3-ol
CID 10976646
4-methyl-8-phenyloctan-3-ol
CID 114334468
3-methyl-6-phenylhexan-2-one
CID 59396975
4-methyl-7-phenylheptan-2-ol
CID 64718783

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol?
The IUPAC name of 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol (CID 141003905) is 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol.
What is the SMILES notation for 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol?
The canonical SMILES for 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol is CCc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1.
What is the InChIKey of 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol?
The InChIKey is JSHLWCCUWNPSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15-12-17(18)20(19-15)16(13(2)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16,21H,3,7,10-11,18H2,1-2H3.
What are the key properties of 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol?
3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol has a molecular weight of 287.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol is sourced from PubChem (CID 141003905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).