3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole

C14H25N3O2S — CID 56780577

IUPAC3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCc1cc(C)n(CC2CCCN2CCCS(C)(=O)=O)n1
InChIInChI=1S/C14H25N3O2S/c1-12-10-13(2)17(15-12)11-14-6-4-7-16(14)8-5-9-20(3,18)19/h10,14H,4-9,11H2,1-3H3
InChIKeyAMEATXVGNIXDKO-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.40
Rot. Bonds6

About 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole

3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 56780577) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
PubChem CID56780577
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCc1cc(C)n(CC2CCCN2CCCS(C)(=O)=O)n1
InChIInChI=1S/C14H25N3O2S/c1-12-10-13(2)17(15-12)11-14-6-4-7-16(14)8-5-9-20(3,18)19/h10,14H,4-9,11H2,1-3H3
InChIKeyAMEATXVGNIXDKO-UHFFFAOYSA-N
XLogP1.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole (CID 56780577) is 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole is Cc1cc(C)n(CC2CCCN2CCCS(C)(=O)=O)n1.
What is the InChIKey of 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is AMEATXVGNIXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12-10-13(2)17(15-12)11-14-6-4-7-16(14)8-5-9-20(3,18)19/h10,14H,4-9,11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 299.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 56780577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).