N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine

C15H27N3O2S — CID 79224241

IUPACN-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCCc1nn(CCS(C)(=O)=O)c(CC)c1CCNC1CC1
InChIInChI=1S/C15H27N3O2S/c1-4-14-13(8-9-16-12-6-7-12)15(5-2)18(17-14)10-11-21(3,19)20/h12,16H,4-11H2,1-3H3
InChIKeyCIAPMQIILUPUJN-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.35
Rot. Bonds9

About N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine

N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine (PubChem CID 79224241) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine
PubChem CID79224241
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCCc1nn(CCS(C)(=O)=O)c(CC)c1CCNC1CC1
InChIInChI=1S/C15H27N3O2S/c1-4-14-13(8-9-16-12-6-7-12)15(5-2)18(17-14)10-11-21(3,19)20/h12,16H,4-11H2,1-3H3
InChIKeyCIAPMQIILUPUJN-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine (CID 79224241) is N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine is CCc1nn(CCS(C)(=O)=O)c(CC)c1CCNC1CC1.
What is the InChIKey of N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is CIAPMQIILUPUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-14-13(8-9-16-12-6-7-12)15(5-2)18(17-14)10-11-21(3,19)20/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 313.47 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 79224241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).