3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol

C11H14N4O — CID 63376804

IUPAC3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ccncc1
InChIInChI=1S/C11H14N4O/c12-11-9(2-1-7-16)8-14-15(11)10-3-5-13-6-4-10/h3-6,8,16H,1-2,7,12H2
InChIKeyDUFUIJVMBHXCNE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.77
Rot. Bonds4

About 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol

3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol (PubChem CID 63376804) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
PubChem CID63376804
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ccncc1
InChIInChI=1S/C11H14N4O/c12-11-9(2-1-7-16)8-14-15(11)10-3-5-13-6-4-10/h3-6,8,16H,1-2,7,12H2
InChIKeyDUFUIJVMBHXCNE-UHFFFAOYSA-N
XLogP0.77
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol (CID 63376804) is 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol is Nc1c(CCCO)cnn1-c1ccncc1.
What is the InChIKey of 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol?
The InChIKey is DUFUIJVMBHXCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-11-9(2-1-7-16)8-14-15(11)10-3-5-13-6-4-10/h3-6,8,16H,1-2,7,12H2.
What are the key properties of 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol?
3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 63376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).