1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid

C16H16F3N3O3S — CID 154886106

IUPAC1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1cc(-c2ccsc2)n[nH]1)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15N3OS.C2HF3O2/c1-17(9-13-3-2-5-18-13)8-12-7-14(16-15-12)11-4-6-19-10-11;3-2(4,5)1(6)7/h2-7,10H,8-9H2,1H3,(H,15,16);(H,6,7)
InChIKeyCNZHBCILWIIZAF-UHFFFAOYSA-N
MW387.38 g/mol
LogP4.00
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid

1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 154886106) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID154886106
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1cc(-c2ccsc2)n[nH]1)Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15N3OS.C2HF3O2/c1-17(9-13-3-2-5-18-13)8-12-7-14(16-15-12)11-4-6-19-10-11;3-2(4,5)1(6)7/h2-7,10H,8-9H2,1H3,(H,15,16);(H,6,7)
InChIKeyCNZHBCILWIIZAF-UHFFFAOYSA-N
XLogP4.00
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid 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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 20947611
N-[5-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55867917
N-[5-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55953216
N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55978505
5-[(4,5-Dimethylfuran-2-yl)methyl]-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154886302
3-(Furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154887745
5-[(4,5-Dimethylfuran-2-yl)methyl]-3-(phenylsulfanylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154888993
1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine;2,2,2-trifluoroacetic acid
CID 166229946
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 16672003
N-(furan-2-ylmethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 19509106
1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233165
1-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(2-furylmethyl)-N-(3-thienylmethyl)methanamine
CID 50962104

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid (CID 154886106) is 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid is CN(Cc1cc(-c2ccsc2)n[nH]1)Cc1ccco1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is CNZHBCILWIIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS.C2HF3O2/c1-17(9-13-3-2-5-18-13)8-12-7-14(16-15-12)11-4-6-19-10-11;3-2(4,5)1(6)7/h2-7,10H,8-9H2,1H3,(H,15,16);(H,6,7).
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid?
1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 387.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(3-thiophen-3-yl-1H-pyrazol-5-yl)methyl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).