(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol

C16H21N3O2 — CID 39804559

IUPAC(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
SMILESCn1cc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-11-15(10-17-18)13-2-4-14(5-3-13)16(20)12-19-6-8-21-9-7-19/h2-5,10-11,16,20H,6-9,12H2,1H3/t16-/m1/s1
InChIKeyRTFQBBSNAZSORO-MRXNPFEDSA-N
MW287.36 g/mol
LogP1.45
Rot. Bonds4

About (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol

(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol (PubChem CID 39804559) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
PubChem CID39804559
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
SMILESCn1cc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-11-15(10-17-18)13-2-4-14(5-3-13)16(20)12-19-6-8-21-9-7-19/h2-5,10-11,16,20H,6-9,12H2,1H3/t16-/m1/s1
InChIKeyRTFQBBSNAZSORO-MRXNPFEDSA-N
XLogP1.45
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol (CID 39804559) is (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol is Cn1cc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cn1.
What is the InChIKey of (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol?
The InChIKey is RTFQBBSNAZSORO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-11-15(10-17-18)13-2-4-14(5-3-13)16(20)12-19-6-8-21-9-7-19/h2-5,10-11,16,20H,6-9,12H2,1H3/t16-/m1/s1.
What are the key properties of (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol?
(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol has a molecular weight of 287.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 39804559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).