3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine

C14H18N4O3S — CID 154807999

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H18N4O3S/c1-10-14(11(2)17-16-10)13-9-21-7-6-18(13)22(19,20)12-4-3-5-15-8-12/h3-5,8,13H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGNVSKRHEZBHSKN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.18
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine (PubChem CID 154807999) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
PubChem CID154807999
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H18N4O3S/c1-10-14(11(2)17-16-10)13-9-21-7-6-18(13)22(19,20)12-4-3-5-15-8-12/h3-5,8,13H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyGNVSKRHEZBHSKN-UHFFFAOYSA-N
XLogP1.18
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine (CID 154807999) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine is Cc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine?
The InChIKey is GNVSKRHEZBHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-14(11(2)17-16-10)13-9-21-7-6-18(13)22(19,20)12-4-3-5-15-8-12/h3-5,8,13H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine has a molecular weight of 322.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine is sourced from PubChem (CID 154807999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).