2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide

C16H17N3O2S — CID 71797380

IUPAC2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c(C)o1
InChIInChI=1S/C16H17N3O2S/c1-10-7-13(11(2)21-10)16(20)17-9-12-8-14(19(3)18-12)15-5-4-6-22-15/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyNBNFKXMOHJZRSU-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.29
Rot. Bonds4

About 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide (PubChem CID 71797380) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide
PubChem CID71797380
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c(C)o1
InChIInChI=1S/C16H17N3O2S/c1-10-7-13(11(2)21-10)16(20)17-9-12-8-14(19(3)18-12)15-5-4-6-22-15/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyNBNFKXMOHJZRSU-UHFFFAOYSA-N
XLogP3.29
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(furan-3-ylmethyl)-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 71804198
(2,5-Dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2742934
(2,5-Dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814860
2,5-dimethyl-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)furan-3-carboxamide
CID 45497802
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49677364
N-[1-(2-hydroxyethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 49677513
3-furyl[2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone
CID 53165155
2,5-dimethyl-N-((4-methyl-2-(thiophen-2-yl)thiazol-5-yl)methyl)furan-3-carboxamide
CID 71795391
N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)thiophene-3-carboxamide
CID 71797288
N-{[5-(furan-2-yl)-1-(2-methoxyethyl)-1H-pyrazol-3-yl]methyl}-4-methylthiophene-2-carboxamide
CID 71797362
N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-4-oxo-4H-chromene-2-carboxamide
CID 71797415
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-2,5-dimethylfuran-3-carboxamide
CID 71808548

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide (CID 71797380) is 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide?
The InChIKey is NBNFKXMOHJZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-7-13(11(2)21-10)16(20)17-9-12-8-14(19(3)18-12)15-5-4-6-22-15/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 71797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).