2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide

C13H17N3O2 — CID 24655014

IUPAC2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C13H17N3O2/c1-7-6-11(10(4)18-7)13(17)14-12-8(2)15-16(5)9(12)3/h6H,1-5H3,(H,14,17)
InChIKeyOKHDPXUKYFILMI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.50
Rot. Bonds2

About 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide

2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide (PubChem CID 24655014) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
PubChem CID24655014
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C13H17N3O2/c1-7-6-11(10(4)18-7)13(17)14-12-8(2)15-16(5)9(12)3/h6H,1-5H3,(H,14,17)
InChIKeyOKHDPXUKYFILMI-UHFFFAOYSA-N
XLogP2.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
CID 3773292
5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 61110943
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 104547712
2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 3773288
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
2-chloro-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 60645859
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 61113384

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide (CID 24655014) is 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide is Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide?
The InChIKey is OKHDPXUKYFILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-6-11(10(4)18-7)13(17)14-12-8(2)15-16(5)9(12)3/h6H,1-5H3,(H,14,17).
What are the key properties of 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide?
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide is sourced from PubChem (CID 24655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).