N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C20H17N3O2S — CID 42762090

IUPACN-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H17N3O2S/c1-14-5-2-6-15(11-14)23-18(12-17(22-23)19-8-4-10-26-19)20(24)21-13-16-7-3-9-25-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyZVNYQEAZGACDRG-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762090) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762090
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H17N3O2S/c1-14-5-2-6-15(11-14)23-18(12-17(22-23)19-8-4-10-26-19)20(24)21-13-16-7-3-9-25-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyZVNYQEAZGACDRG-UHFFFAOYSA-N
XLogP4.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762072
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494838
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494836
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271221
N-(furan-2-ylmethyl)-6-[(3-methylphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797213
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5013344
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762090) is N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is ZVNYQEAZGACDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-5-2-6-15(11-14)23-18(12-17(22-23)19-8-4-10-26-19)20(24)21-13-16-7-3-9-25-16/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).