N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine

C13H16F3N3S — CID 107557845

IUPACN-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C13H16F3N3S/c1-9(2)17-6-11-3-4-12(20-11)8-19-7-10(5-18-19)13(14,15)16/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeySVBJVFXLGJPRLU-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.51
Rot. Bonds5

About N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107557845) has the molecular formula C13H16F3N3S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107557845
Molecular FormulaC13H16F3N3S
Molecular Weight303.35 g/mol
Exact Mass303.10
IUPAC NameN-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C13H16F3N3S/c1-9(2)17-6-11-3-4-12(20-11)8-19-7-10(5-18-19)13(14,15)16/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeySVBJVFXLGJPRLU-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine 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-[[5-[(4-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557782
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79775029
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774939
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557554
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81254195
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557592
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556725

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107557845) is N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is SVBJVFXLGJPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3S/c1-9(2)17-6-11-3-4-12(20-11)8-19-7-10(5-18-19)13(14,15)16/h3-5,7,9,17H,6,8H2,1-2H3.
What are the key properties of N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 303.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107557845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).