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

C16H23N3O — CID 141003923

IUPAC3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol
SMILESCc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1
InChIInChI=1S/C16H23N3O/c1-12-11-16(17)19(18-12)15(13(2)20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,17H2,1-2H3
InChIKeyVBIXONITQFVKKN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds6

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

3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol (PubChem CID 141003923) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol.

Molecular Properties

Compound Name3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol
PubChem CID141003923
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol
SMILESCc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1
InChIInChI=1S/C16H23N3O/c1-12-11-16(17)19(18-12)15(13(2)20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,17H2,1-2H3
InChIKeyVBIXONITQFVKKN-UHFFFAOYSA-N
XLogP2.72
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-3-ethylpyrazol-1-yl)-6-phenylhexan-2-ol
CID 141003905
2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
3-methyl-6-phenylhexan-2-ol
CID 54498182
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
1-(5-amino-3-methylpyrazol-1-yl)butane-1,4-diol
CID 21432496
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
1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(4-phenylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135702860
4-methyl-7-phenylheptan-2-ol
CID 64718783

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol?
The IUPAC name of 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol (CID 141003923) is 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol.
What is the SMILES notation for 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol?
The canonical SMILES for 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol is Cc1cc(N)n(C(CCCc2ccccc2)C(C)O)n1.
What is the InChIKey of 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol?
The InChIKey is VBIXONITQFVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-11-16(17)19(18-12)15(13(2)20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,13,15,20H,6,9-10,17H2,1-2H3.
What are the key properties of 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol?
3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methylpyrazol-1-yl)-6-phenylhexan-2-ol is sourced from PubChem (CID 141003923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).