2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine

C14H18F3N3O — CID 62441173

IUPAC2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C14H18F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyRAYMACMPWFIXHR-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.29
Rot. Bonds6

About 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62441173) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62441173
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C14H18F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3
InChIKeyRAYMACMPWFIXHR-UHFFFAOYSA-N
XLogP3.29
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-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-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62441140
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 62442947
N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
CID 62432812
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
CID 62441951
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 7189037
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
2-methyl-N-[[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62440062
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine (CID 62441173) is 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(Cn2ccc(C(F)(F)F)n2)o1.
What is the InChIKey of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is RAYMACMPWFIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 301.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62441173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).