1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane

C17H22F3N3OS — CID 143533955

IUPAC1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane
SMILESC=C(NCC1CCCO1)c1ccc(-c2cc(C(F)F)n(C)n2)s1.CF
InChIInChI=1S/C16H19F2N3OS.CH3F/c1-10(19-9-11-4-3-7-22-11)14-5-6-15(23-14)12-8-13(16(17)18)21(2)20-12;1-2/h5-6,8,11,16,19H,1,3-4,7,9H2,2H3;1H3
InChIKeyHVMRKSVFLJRYFR-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.41
Rot. Bonds6

About 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane

1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane (PubChem CID 143533955) has the molecular formula C17H22F3N3OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane.

Molecular Properties

Compound Name1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane
PubChem CID143533955
Molecular FormulaC17H22F3N3OS
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC Name1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane
SMILESC=C(NCC1CCCO1)c1ccc(-c2cc(C(F)F)n(C)n2)s1.CF
InChIInChI=1S/C16H19F2N3OS.CH3F/c1-10(19-9-11-4-3-7-22-11)14-5-6-15(23-14)12-8-13(16(17)18)21(2)20-12;1-2/h5-6,8,11,16,19H,1,3-4,7,9H2,2H3;1H3
InChIKeyHVMRKSVFLJRYFR-UHFFFAOYSA-N
XLogP4.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane 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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538626
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
2-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110849530
4-bromo-1-methyl-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768711
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane?
The IUPAC name of 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane (CID 143533955) is 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane.
What is the SMILES notation for 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane?
The canonical SMILES for 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane is C=C(NCC1CCCO1)c1ccc(-c2cc(C(F)F)n(C)n2)s1.CF.
What is the InChIKey of 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane?
The InChIKey is HVMRKSVFLJRYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS.CH3F/c1-10(19-9-11-4-3-7-22-11)14-5-6-15(23-14)12-8-13(16(17)18)21(2)20-12;1-2/h5-6,8,11,16,19H,1,3-4,7,9H2,2H3;1H3.
What are the key properties of 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane?
1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane has a molecular weight of 373.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]-N-(oxolan-2-ylmethyl)ethenamine;fluoromethane is sourced from PubChem (CID 143533955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).