3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine

C12H18N6O3S — CID 154798432

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine
SMILESCc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cnnn1C
InChIInChI=1S/C12H18N6O3S/c1-8-12(9(2)15-14-8)10-7-21-5-4-18(10)22(19,20)11-6-13-16-17(11)3/h6,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyICMRYJYNOZZQOW-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.08
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine (PubChem CID 154798432) has the molecular formula C12H18N6O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine
PubChem CID154798432
Molecular FormulaC12H18N6O3S
Molecular Weight326.38 g/mol
Exact Mass326.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine
SMILESCc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cnnn1C
InChIInChI=1S/C12H18N6O3S/c1-8-12(9(2)15-14-8)10-7-21-5-4-18(10)22(19,20)11-6-13-16-17(11)3/h6,10H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyICMRYJYNOZZQOW-UHFFFAOYSA-N
XLogP-0.08
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 154807999
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine
CID 97330629
(3R)-4-(5-bromo-2-methoxyphenyl)sulfonyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
CID 97251666
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 97330885
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 97330753
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine
CID 97330544
1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione
CID 155964699

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine (CID 154798432) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine is Cc1n[nH]c(C)c1C1COCCN1S(=O)(=O)c1cnnn1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine?
The InChIKey is ICMRYJYNOZZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3S/c1-8-12(9(2)15-14-8)10-7-21-5-4-18(10)22(19,20)11-6-13-16-17(11)3/h6,10H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine has a molecular weight of 326.38 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 154798432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).