N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

C22H21FN4O2S — CID 43044142

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1
InChIInChI=1S/C22H21FN4O2S/c1-26(2)19(20-5-3-11-29-20)14-24-22(28)17-13-18(21-6-4-12-30-21)27(25-17)16-9-7-15(23)8-10-16/h3-13,19H,14H2,1-2H3,(H,24,28)
InChIKeyMXRNXTVZGUQFGJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 43044142) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID43044142
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1
InChIInChI=1S/C22H21FN4O2S/c1-26(2)19(20-5-3-11-29-20)14-24-22(28)17-13-18(21-6-4-12-30-21)27(25-17)16-9-7-15(23)8-10-16/h3-13,19H,14H2,1-2H3,(H,24,28)
InChIKeyMXRNXTVZGUQFGJ-UHFFFAOYSA-N
XLogP4.37
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 644441
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid cyclopentylcarbamoylmethyl-furan-2-ylmethyl-amide
CID 649983
2-[(2-Benzotriazol-1-yl-acetyl)-thiophen-2-ylmethyl-amino]-N-cyclohexyl-2-furan-2-yl-acetamide
CID 653999
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 655128
2-[(2-Benzotriazol-1-yl-acetyl)-thiophen-2-ylmethyl-amino]-2-furan-2-yl-N-furan-2-ylmethyl-acetamide
CID 3206178
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24979646
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980011
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980596
N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062151
N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062171
N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (CID 43044142) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is CN(C)C(CNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is MXRNXTVZGUQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-26(2)19(20-5-3-11-29-20)14-24-22(28)17-13-18(21-6-4-12-30-21)27(25-17)16-9-7-15(23)8-10-16/h3-13,19H,14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43044142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).