N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3S — CID 154888326

IUPACN-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(C2CCCN2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-18(9-10-6-8-16-17-10)14(19)13-5-4-12(20-13)11-3-2-7-15-11;3-2(4,5)1(6)7/h4-6,8,11,15H,2-3,7,9H2,1H3,(H,16,17);(H,6,7)
InChIKeyOVLQOUGFWOANIW-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154888326) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154888326
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(C2CCCN2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4OS.C2HF3O2/c1-18(9-10-6-8-16-17-10)14(19)13-5-4-12(20-13)11-3-2-7-15-11;3-2(4,5)1(6)7/h4-6,8,11,15H,2-3,7,9H2,1H3,(H,16,17);(H,6,7)
InChIKeyOVLQOUGFWOANIW-UHFFFAOYSA-N
XLogP2.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154888326) is N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is CN(Cc1ccn[nH]1)C(=O)c1ccc(C2CCCN2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OVLQOUGFWOANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C2HF3O2/c1-18(9-10-6-8-16-17-10)14(19)13-5-4-12(20-13)11-3-2-7-15-11;3-2(4,5)1(6)7/h4-6,8,11,15H,2-3,7,9H2,1H3,(H,16,17);(H,6,7).
What are the key properties of N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 404.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-5-ylmethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).