N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C22H20N4O3S — CID 17481158

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H20N4O3S/c1-25(15-20(27)23-13-17-9-5-11-29-17)22(28)18-14-26(16-7-3-2-4-8-16)24-21(18)19-10-6-12-30-19/h2-12,14H,13,15H2,1H3,(H,23,27)
InChIKeyRPTBTCCDAICNJB-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 17481158) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID17481158
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H20N4O3S/c1-25(15-20(27)23-13-17-9-5-11-29-17)22(28)18-14-26(16-7-3-2-4-8-16)24-21(18)19-10-6-12-30-19/h2-12,14H,13,15H2,1H3,(H,23,27)
InChIKeyRPTBTCCDAICNJB-UHFFFAOYSA-N
XLogP3.58
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 17481158) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RPTBTCCDAICNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-25(15-20(27)23-13-17-9-5-11-29-17)22(28)18-14-26(16-7-3-2-4-8-16)24-21(18)19-10-6-12-30-19/h2-12,14H,13,15H2,1H3,(H,23,27).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17481158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).