ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol

C14H18N2O2 — CID 155311910

IUPACethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol
SMILESCCOC(O)c1cnn([C@H](C)c2ccccc2)c1
InChIInChI=1S/C14H18N2O2/c1-3-18-14(17)13-9-15-16(10-13)11(2)12-7-5-4-6-8-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyUZODGBVMORVKBA-YNODCEANSA-N
MW246.31 g/mol
LogP2.52
Rot. Bonds5

About ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol

ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol (PubChem CID 155311910) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Nameethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol
PubChem CID155311910
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol
SMILESCCOC(O)c1cnn([C@H](C)c2ccccc2)c1
InChIInChI=1S/C14H18N2O2/c1-3-18-14(17)13-9-15-16(10-13)11(2)12-7-5-4-6-8-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyUZODGBVMORVKBA-YNODCEANSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol?
The IUPAC name of ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol (CID 155311910) is ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol?
The canonical SMILES for ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol is CCOC(O)c1cnn([C@H](C)c2ccccc2)c1.
What is the InChIKey of ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol?
The InChIKey is UZODGBVMORVKBA-YNODCEANSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-14(17)13-9-15-16(10-13)11(2)12-7-5-4-6-8-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol?
ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 155311910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).