N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine

C11H17F2N3O2S — CID 66441221

IUPACN-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCn1ncc(CNC2CC2)c1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-19(17,18)5-4-16-10(11(12)13)8(7-15-16)6-14-9-2-3-9/h7,9,11,14H,2-6H2,1H3
InChIKeyPFWQQWFEESVMKR-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.12
Rot. Bonds7

About N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441221) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441221
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC NameN-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCn1ncc(CNC2CC2)c1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-19(17,18)5-4-16-10(11(12)13)8(7-15-16)6-14-9-2-3-9/h7,9,11,14H,2-6H2,1H3
InChIKeyPFWQQWFEESVMKR-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 66441221) is N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine is CS(=O)(=O)CCn1ncc(CNC2CC2)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PFWQQWFEESVMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-19(17,18)5-4-16-10(11(12)13)8(7-15-16)6-14-9-2-3-9/h7,9,11,14H,2-6H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).