4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C18H29N5O3S — CID 129001054

IUPAC4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCO2)cn1
InChIInChI=1S/C18H29N5O3S/c1-6-21-11-16(9-19-21)17-12-22(7-8-26-17)27(24,25)18-14(4)20-23(15(18)5)10-13(2)3/h9,11,13,17H,6-8,10,12H2,1-5H3
InChIKeyZSIJWBLHOOGQOR-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.13
Rot. Bonds6

About 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 129001054) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID129001054
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc(C2CN(S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCO2)cn1
InChIInChI=1S/C18H29N5O3S/c1-6-21-11-16(9-19-21)17-12-22(7-8-26-17)27(24,25)18-14(4)20-23(15(18)5)10-13(2)3/h9,11,13,17H,6-8,10,12H2,1-5H3
InChIKeyZSIJWBLHOOGQOR-UHFFFAOYSA-N
XLogP2.13
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
CID 129400016
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
CID 99827501
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
CID 99827489
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024
4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 132972271
2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
CID 129000221
(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400028
3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonyl-4-methylbenzonitrile
CID 128999495
5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
CID 129001445

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 129001054) is 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc(C2CN(S(=O)(=O)c3c(C)nn(CC(C)C)c3C)CCO2)cn1.
What is the InChIKey of 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is ZSIJWBLHOOGQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-6-21-11-16(9-19-21)17-12-22(7-8-26-17)27(24,25)18-14(4)20-23(15(18)5)10-13(2)3/h9,11,13,17H,6-8,10,12H2,1-5H3.
What are the key properties of 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 395.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129001054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).