4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

C16H25N5O3S — CID 132972271

IUPAC4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCCn1cc(CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-19-12-15(11-17-19)5-6-21-14(3)16(13(2)18-21)25(22,23)20-7-9-24-10-8-20/h11-12H,4-10H2,1-3H3
InChIKeyYVILCXAYZONWMX-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.98
Rot. Bonds6

About 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 132972271) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID132972271
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCCn1cc(CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-19-12-15(11-17-19)5-6-21-14(3)16(13(2)18-21)25(22,23)20-7-9-24-10-8-20/h11-12H,4-10H2,1-3H3
InChIKeyYVILCXAYZONWMX-UHFFFAOYSA-N
XLogP0.98
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129001054
1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 62127198
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 9193605
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
CID 9281938
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8562074
N-(3-bromophenyl)-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345192

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 132972271) is 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is CCn1cc(CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cn1.
What is the InChIKey of 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is YVILCXAYZONWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-4-19-12-15(11-17-19)5-6-21-14(3)16(13(2)18-21)25(22,23)20-7-9-24-10-8-20/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 367.48 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 132972271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).