N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine

C12H18F3N3 — CID 81005865

IUPACN-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-8(2)16-5-9-3-4-11(9)18-7-10(6-17-18)12(13,14)15/h6-9,11,16H,3-5H2,1-2H3
InChIKeyNWAIHJCWQHZCFR-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.85
Rot. Bonds4

About N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine

N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine (PubChem CID 81005865) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine
PubChem CID81005865
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-8(2)16-5-9-3-4-11(9)18-7-10(6-17-18)12(13,14)15/h6-9,11,16H,3-5H2,1-2H3
InChIKeyNWAIHJCWQHZCFR-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine (CID 81005865) is N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is NWAIHJCWQHZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)16-5-9-3-4-11(9)18-7-10(6-17-18)12(13,14)15/h6-9,11,16H,3-5H2,1-2H3.
What are the key properties of N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine?
N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).