2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol

C11H19N3O — CID 139343308

IUPAC2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CNCC(c2cn[nH]c2)C1
InChIInChI=1S/C11H19N3O/c1-11(2,15)10-3-8(4-12-7-10)9-5-13-14-6-9/h5-6,8,10,12,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyOSYLAQDNITURGL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.87
Rot. Bonds2

About 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol

2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol (PubChem CID 139343308) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol
PubChem CID139343308
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CNCC(c2cn[nH]c2)C1
InChIInChI=1S/C11H19N3O/c1-11(2,15)10-3-8(4-12-7-10)9-5-13-14-6-9/h5-6,8,10,12,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyOSYLAQDNITURGL-UHFFFAOYSA-N
XLogP0.87
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol?
The IUPAC name of 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol (CID 139343308) is 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol is CC(C)(O)C1CNCC(c2cn[nH]c2)C1.
What is the InChIKey of 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol?
The InChIKey is OSYLAQDNITURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,15)10-3-8(4-12-7-10)9-5-13-14-6-9/h5-6,8,10,12,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol?
2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-pyrazol-4-yl)piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 139343308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).