2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine

C14H23N3O4S — CID 129000221

IUPAC2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)CC3CCOC3)CCO2)cn1
InChIInChI=1S/C14H23N3O4S/c1-2-16-8-13(7-15-16)14-9-17(4-6-21-14)22(18,19)11-12-3-5-20-10-12/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyFTFAOZRVFCFYIJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.64
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine

2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine (PubChem CID 129000221) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
PubChem CID129000221
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)CC3CCOC3)CCO2)cn1
InChIInChI=1S/C14H23N3O4S/c1-2-16-8-13(7-15-16)14-9-17(4-6-21-14)22(18,19)11-12-3-5-20-10-12/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyFTFAOZRVFCFYIJ-UHFFFAOYSA-N
XLogP0.64
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine (CID 129000221) is 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine is CCn1cc(C2CN(S(=O)(=O)CC3CCOC3)CCO2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine?
The InChIKey is FTFAOZRVFCFYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-2-16-8-13(7-15-16)14-9-17(4-6-21-14)22(18,19)11-12-3-5-20-10-12/h7-8,12,14H,2-6,9-11H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine?
2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine has a molecular weight of 329.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 129000221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).