2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine

C14H17N3O — CID 141401677

IUPAC2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine
SMILESc1ccc([C@@H](C2CNCCO2)n2cccn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)14(17-9-4-7-16-17)13-11-15-8-10-18-13/h1-7,9,13-15H,8,10-11H2/t13?,14-/m0/s1
InChIKeyRBTUKVJWDCEHPT-KZUDCZAMSA-N
MW243.31 g/mol
LogP1.46
Rot. Bonds3

About 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine

2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine (PubChem CID 141401677) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine
PubChem CID141401677
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine
SMILESc1ccc([C@@H](C2CNCCO2)n2cccn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-5-12(6-3-1)14(17-9-4-7-16-17)13-11-15-8-10-18-13/h1-7,9,13-15H,8,10-11H2/t13?,14-/m0/s1
InChIKeyRBTUKVJWDCEHPT-KZUDCZAMSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine?
The IUPAC name of 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine (CID 141401677) is 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine is c1ccc([C@@H](C2CNCCO2)n2cccn2)cc1.
What is the InChIKey of 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine?
The InChIKey is RBTUKVJWDCEHPT-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-12(6-3-1)14(17-9-4-7-16-17)13-11-15-8-10-18-13/h1-7,9,13-15H,8,10-11H2/t13?,14-/m0/s1.
What are the key properties of 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine?
2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine has a molecular weight of 243.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-phenyl(pyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 141401677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).