(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine

C15H21N3OS — CID 95301599

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
SMILESCc1cnn(C[C@@H]2CN(CCc3cccs3)CCO2)c1
InChIInChI=1S/C15H21N3OS/c1-13-9-16-18(10-13)12-14-11-17(6-7-19-14)5-4-15-3-2-8-20-15/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1
InChIKeyOPNRZAIFVTXFJI-AWEZNQCLSA-N
MW291.42 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine (PubChem CID 95301599) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
PubChem CID95301599
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
SMILESCc1cnn(C[C@@H]2CN(CCc3cccs3)CCO2)c1
InChIInChI=1S/C15H21N3OS/c1-13-9-16-18(10-13)12-14-11-17(6-7-19-14)5-4-15-3-2-8-20-15/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1
InChIKeyOPNRZAIFVTXFJI-AWEZNQCLSA-N
XLogP2.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine (CID 95301599) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine is Cc1cnn(C[C@@H]2CN(CCc3cccs3)CCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine?
The InChIKey is OPNRZAIFVTXFJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-13-9-16-18(10-13)12-14-11-17(6-7-19-14)5-4-15-3-2-8-20-15/h2-3,8-10,14H,4-7,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine has a molecular weight of 291.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine is sourced from PubChem (CID 95301599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).