1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol

C15H19N5O — CID 166247347

IUPAC1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESC=CCn1cc(-c2cnc(N3CCC(O)CC3)nc2)cn1
InChIInChI=1S/C15H19N5O/c1-2-5-20-11-13(10-18-20)12-8-16-15(17-9-12)19-6-3-14(21)4-7-19/h2,8-11,14,21H,1,3-7H2
InChIKeyNEDGKZLNFOEIRN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.49
Rot. Bonds4

About 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol

1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 166247347) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID166247347
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESC=CCn1cc(-c2cnc(N3CCC(O)CC3)nc2)cn1
InChIInChI=1S/C15H19N5O/c1-2-5-20-11-13(10-18-20)12-8-16-15(17-9-12)19-6-3-14(21)4-7-19/h2,8-11,14,21H,1,3-7H2
InChIKeyNEDGKZLNFOEIRN-UHFFFAOYSA-N
XLogP1.49
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol (CID 166247347) is 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol is C=CCn1cc(-c2cnc(N3CCC(O)CC3)nc2)cn1.
What is the InChIKey of 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is NEDGKZLNFOEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-5-20-11-13(10-18-20)12-8-16-15(17-9-12)19-6-3-14(21)4-7-19/h2,8-11,14,21H,1,3-7H2.
What are the key properties of 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 285.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-prop-2-enylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 166247347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).