N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C15H17F3N4O3S — CID 154925167

IUPACN-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2ccc(C3CCCN3)s2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N4OS.C2HF3O2/c1-17-8-9(7-15-17)16-13(18)12-5-4-11(19-12)10-3-2-6-14-10;3-2(4,5)1(6)7/h4-5,7-8,10,14H,2-3,6H2,1H3,(H,16,18);(H,6,7)
InChIKeyUWECJGKINUEHGL-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.79
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154925167) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154925167
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2ccc(C3CCCN3)s2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N4OS.C2HF3O2/c1-17-8-9(7-15-17)16-13(18)12-5-4-11(19-12)10-3-2-6-14-10;3-2(4,5)1(6)7/h4-5,7-8,10,14H,2-3,6H2,1H3,(H,16,18);(H,6,7)
InChIKeyUWECJGKINUEHGL-UHFFFAOYSA-N
XLogP2.79
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 47057480
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 47067299
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 49055288
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 49089067
3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 72010664
4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432634
4-{4-[(2-Thienylcarbonyl)amino]-1H-pyrazol-1-YL}butanoic acid
CID 1505477
N-(2,3-difluorophenyl)-5-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-2-thiophenecarboxamide
CID 45199466
5-Ethyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-YL]-3-thiophenecarboxamide
CID 19617263
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 23627970
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 89897488
2-methyl-N-(1-methylpyrazol-4-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118432791

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154925167) is N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(NC(=O)c2ccc(C3CCCN3)s2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UWECJGKINUEHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.C2HF3O2/c1-17-8-9(7-15-17)16-13(18)12-5-4-11(19-12)10-3-2-6-14-10;3-2(4,5)1(6)7/h4-5,7-8,10,14H,2-3,6H2,1H3,(H,16,18);(H,6,7).
What are the key properties of N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 390.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154925167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).