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

C12H18F3N3 — CID 66442349

IUPACN-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCCn1ncc(CNC2CC2)c1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-2-3-6-18-11(12(13,14)15)9(8-17-18)7-16-10-4-5-10/h8,10,16H,2-7H2,1H3
InChIKeyNNXWVBCHJYANEP-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.95
Rot. Bonds6

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

N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66442349) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66442349
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCCn1ncc(CNC2CC2)c1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-2-3-6-18-11(12(13,14)15)9(8-17-18)7-16-10-4-5-10/h8,10,16H,2-7H2,1H3
InChIKeyNNXWVBCHJYANEP-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 103294527
N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
CID 82527795
4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927
N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 103140614
3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167900
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441221
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513

Frequently Asked Questions

What is the IUPAC name of N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 66442349) is N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is CCCCn1ncc(CNC2CC2)c1C(F)(F)F.
What is the InChIKey of N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NNXWVBCHJYANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-3-6-18-11(12(13,14)15)9(8-17-18)7-16-10-4-5-10/h8,10,16H,2-7H2,1H3.
What are the key properties of N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66442349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).