(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol

C9H9N3O — CID 43753528

IUPAC(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
SMILESOCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C9H9N3O/c13-6-8-5-11-12-9(8)7-2-1-3-10-4-7/h1-5,13H,6H2,(H,11,12)
InChIKeyHKJLIOYOYPDLDD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.96
Rot. Bonds2

About (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol

(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol (PubChem CID 43753528) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
PubChem CID43753528
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
SMILESOCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C9H9N3O/c13-6-8-5-11-12-9(8)7-2-1-3-10-4-7/h1-5,13H,6H2,(H,11,12)
InChIKeyHKJLIOYOYPDLDD-UHFFFAOYSA-N
XLogP0.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol (CID 43753528) is (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol is OCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The InChIKey is HKJLIOYOYPDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-6-8-5-11-12-9(8)7-2-1-3-10-4-7/h1-5,13H,6H2,(H,11,12).
What are the key properties of (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol has a molecular weight of 175.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 43753528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).