2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine

C15H19F2N3S — CID 143533988

IUPAC2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1
InChIInChI=1S/C15H19F2N3S/c1-5-18-9-10(2)12-6-7-13(21-12)11-8-14(15(3,16)17)20(4)19-11/h6-8,18H,2,5,9H2,1,3-4H3
InChIKeyATZTUDAEAQQKFW-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.88
Rot. Bonds6

About 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine

2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine (PubChem CID 143533988) has the molecular formula C15H19F2N3S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine
PubChem CID143533988
Molecular FormulaC15H19F2N3S
Molecular Weight311.40 g/mol
Exact Mass311.13
IUPAC Name2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1
InChIInChI=1S/C15H19F2N3S/c1-5-18-9-10(2)12-6-7-13(21-12)11-8-14(15(3,16)17)20(4)19-11/h6-8,18H,2,5,9H2,1,3-4H3
InChIKeyATZTUDAEAQQKFW-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine (CID 143533988) is 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine is C=C(CNCC)c1ccc(-c2cc(C(C)(F)F)n(C)n2)s1.
What is the InChIKey of 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine?
The InChIKey is ATZTUDAEAQQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3S/c1-5-18-9-10(2)12-6-7-13(21-12)11-8-14(15(3,16)17)20(4)19-11/h6-8,18H,2,5,9H2,1,3-4H3.
What are the key properties of 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine?
2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine has a molecular weight of 311.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 143533988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).