1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine

C15H27N3O2S — CID 104993943

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccn(C2CCCC2)n1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H27N3O2S/c1-15(2,21(4,19)20)14(16-3)11-12-9-10-18(17-12)13-7-5-6-8-13/h9-10,13-14,16H,5-8,11H2,1-4H3
InChIKeyWQZBYWXTLHJMQG-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.95
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine (PubChem CID 104993943) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
PubChem CID104993943
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
SMILESCNC(Cc1ccn(C2CCCC2)n1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H27N3O2S/c1-15(2,21(4,19)20)14(16-3)11-12-9-10-18(17-12)13-7-5-6-8-13/h9-10,13-14,16H,5-8,11H2,1-4H3
InChIKeyWQZBYWXTLHJMQG-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 104987856
1-(1-cyclohexylpyrazol-3-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726577
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
[1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274040
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine (CID 104993943) is 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine is CNC(Cc1ccn(C2CCCC2)n1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
The InChIKey is WQZBYWXTLHJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-15(2,21(4,19)20)14(16-3)11-12-9-10-18(17-12)13-7-5-6-8-13/h9-10,13-14,16H,5-8,11H2,1-4H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine has a molecular weight of 313.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 104993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).