[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol

C12H15N3O2 — CID 114274243

IUPAC[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol
SMILESCCCOc1cnn(-c2cnccc2CO)c1
InChIInChI=1S/C12H15N3O2/c1-2-5-17-11-6-14-15(8-11)12-7-13-4-3-10(12)9-16/h3-4,6-8,16H,2,5,9H2,1H3
InChIKeyOAKWJNIVDPUTFU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds5

About [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol

[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol (PubChem CID 114274243) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol
PubChem CID114274243
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol
SMILESCCCOc1cnn(-c2cnccc2CO)c1
InChIInChI=1S/C12H15N3O2/c1-2-5-17-11-6-14-15(8-11)12-7-13-4-3-10(12)9-16/h3-4,6-8,16H,2,5,9H2,1H3
InChIKeyOAKWJNIVDPUTFU-UHFFFAOYSA-N
XLogP1.55
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol (CID 114274243) is [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol is CCCOc1cnn(-c2cnccc2CO)c1.
What is the InChIKey of [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is OAKWJNIVDPUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-17-11-6-14-15(8-11)12-7-13-4-3-10(12)9-16/h3-4,6-8,16H,2,5,9H2,1H3.
What are the key properties of [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol?
[3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propoxypyrazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114274243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).