N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine

C14H14F3N3 — CID 62112186

IUPACN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1-c1cc(CNC2CC2)[nH]n1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-11(12)13-7-10(19-20-13)8-18-9-5-6-9/h1-4,7,9,18H,5-6,8H2,(H,19,20)
InChIKeyAKMAHDNLABPDIQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.35
Rot. Bonds4

About N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine

N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62112186) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
PubChem CID62112186
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1-c1cc(CNC2CC2)[nH]n1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-11(12)13-7-10(19-20-13)8-18-9-5-6-9/h1-4,7,9,18H,5-6,8H2,(H,19,20)
InChIKeyAKMAHDNLABPDIQ-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine (CID 62112186) is N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine is FC(F)(F)c1ccccc1-c1cc(CNC2CC2)[nH]n1.
What is the InChIKey of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is AKMAHDNLABPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)12-4-2-1-3-11(12)13-7-10(19-20-13)8-18-9-5-6-9/h1-4,7,9,18H,5-6,8H2,(H,19,20).
What are the key properties of N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine?
N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 281.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62112186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).