N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

C8H10F3N3 — CID 66441856

IUPACN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-5(4-13-14-7)3-12-6-1-2-6/h4,6,12H,1-3H2,(H,13,14)
InChIKeyALOMGZWPCUEQAA-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.68
Rot. Bonds3

About N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441856) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441856
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-5(4-13-14-7)3-12-6-1-2-6/h4,6,12H,1-3H2,(H,13,14)
InChIKeyALOMGZWPCUEQAA-UHFFFAOYSA-N
XLogP1.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (CID 66441856) is N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is FC(F)(F)c1[nH]ncc1CNC1CC1.
What is the InChIKey of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ALOMGZWPCUEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)7-5(4-13-14-7)3-12-6-1-2-6/h4,6,12H,1-3H2,(H,13,14).
What are the key properties of N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 205.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).