(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol

C13H17N5O — CID 125446257

IUPAC(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESCn1nccc1-c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H17N5O/c1-17-11(4-7-15-17)13-14-6-5-12(16-13)18-8-2-3-10(19)9-18/h4-7,10,19H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyXGPLJLPXSWIEPN-JTQLQIEISA-N
MW259.31 g/mol
LogP0.84
Rot. Bonds2

About (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol

(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 125446257) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID125446257
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESCn1nccc1-c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H17N5O/c1-17-11(4-7-15-17)13-14-6-5-12(16-13)18-8-2-3-10(19)9-18/h4-7,10,19H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyXGPLJLPXSWIEPN-JTQLQIEISA-N
XLogP0.84
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol (CID 125446257) is (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol is Cn1nccc1-c1nccc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is XGPLJLPXSWIEPN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-11(4-7-15-17)13-14-6-5-12(16-13)18-8-2-3-10(19)9-18/h4-7,10,19H,2-3,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol?
(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 125446257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).