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

C13H22FN3 — CID 82697723

IUPACN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CCF)c(CC)c1CNC1CC1
InChIInChI=1S/C13H22FN3/c1-3-12-11(9-15-10-5-6-10)13(4-2)17(16-12)8-7-14/h10,15H,3-9H2,1-2H3
InChIKeyKIKKBBIFBWFXKR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.23
Rot. Bonds7

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

N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82697723) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82697723
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC NameN-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nn(CCF)c(CC)c1CNC1CC1
InChIInChI=1S/C13H22FN3/c1-3-12-11(9-15-10-5-6-10)13(4-2)17(16-12)8-7-14/h10,15H,3-9H2,1-2H3
InChIKeyKIKKBBIFBWFXKR-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 82697723) is N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine is CCc1nn(CCF)c(CC)c1CNC1CC1.
What is the InChIKey of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KIKKBBIFBWFXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-3-12-11(9-15-10-5-6-10)13(4-2)17(16-12)8-7-14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 239.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82697723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).