1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol

C13H18N4O — CID 175973967

IUPAC1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(C(C)n2cc(N)cn2)cn1
InChIInChI=1S/C13H18N4O/c1-9(18)5-13-4-3-11(6-15-13)10(2)17-8-12(14)7-16-17/h3-4,6-10,18H,5,14H2,1-2H3
InChIKeySQXQOWOLGIKADI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds4

About 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol

1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol (PubChem CID 175973967) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol
PubChem CID175973967
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(C(C)n2cc(N)cn2)cn1
InChIInChI=1S/C13H18N4O/c1-9(18)5-13-4-3-11(6-15-13)10(2)17-8-12(14)7-16-17/h3-4,6-10,18H,5,14H2,1-2H3
InChIKeySQXQOWOLGIKADI-UHFFFAOYSA-N
XLogP1.39
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol (CID 175973967) is 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol is CC(O)Cc1ccc(C(C)n2cc(N)cn2)cn1.
What is the InChIKey of 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol?
The InChIKey is SQXQOWOLGIKADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(18)5-13-4-3-11(6-15-13)10(2)17-8-12(14)7-16-17/h3-4,6-10,18H,5,14H2,1-2H3.
What are the key properties of 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol?
1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-aminopyrazol-1-yl)ethyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 175973967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).