[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol

C13H23N3O — CID 95842997

IUPAC[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
SMILESCC(C)CN1CCC[C@H](c2cc(CO)[nH]n2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)7-16-5-3-4-11(8-16)13-6-12(9-17)14-15-13/h6,10-11,17H,3-5,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyOADYJTOYSLFFKG-NSHDSACASA-N
MW237.35 g/mol
LogP1.74
Rot. Bonds4

About [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol

[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol (PubChem CID 95842997) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
PubChem CID95842997
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
SMILESCC(C)CN1CCC[C@H](c2cc(CO)[nH]n2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)7-16-5-3-4-11(8-16)13-6-12(9-17)14-15-13/h6,10-11,17H,3-5,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyOADYJTOYSLFFKG-NSHDSACASA-N
XLogP1.74
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol (CID 95842997) is [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol is CC(C)CN1CCC[C@H](c2cc(CO)[nH]n2)C1.
What is the InChIKey of [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol?
The InChIKey is OADYJTOYSLFFKG-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)7-16-5-3-4-11(8-16)13-6-12(9-17)14-15-13/h6,10-11,17H,3-5,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol?
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 95842997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).