(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol

C12H15N3O2 — CID 114274115

IUPAC(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol
SMILESCCOc1cnn(-c2ccc([C@@H](C)O)nc2)c1
InChIInChI=1S/C12H15N3O2/c1-3-17-11-7-14-15(8-11)10-4-5-12(9(2)16)13-6-10/h4-9,16H,3H2,1-2H3/t9-/m1/s1
InChIKeyLDAHXGUYOXKUQP-SECBINFHSA-N
MW233.27 g/mol
LogP1.72
Rot. Bonds4

About (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol

(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol (PubChem CID 114274115) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol
PubChem CID114274115
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol
SMILESCCOc1cnn(-c2ccc([C@@H](C)O)nc2)c1
InChIInChI=1S/C12H15N3O2/c1-3-17-11-7-14-15(8-11)10-4-5-12(9(2)16)13-6-10/h4-9,16H,3H2,1-2H3/t9-/m1/s1
InChIKeyLDAHXGUYOXKUQP-SECBINFHSA-N
XLogP1.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol (CID 114274115) is (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol is CCOc1cnn(-c2ccc([C@@H](C)O)nc2)c1.
What is the InChIKey of (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol?
The InChIKey is LDAHXGUYOXKUQP-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-11-7-14-15(8-11)10-4-5-12(9(2)16)13-6-10/h4-9,16H,3H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol?
(1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-ethoxypyrazol-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 114274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).