N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide

C12H15N3O2 — CID 2811734

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)oc2C)n(C)n1
InChIInChI=1S/C12H15N3O2/c1-7-5-11(15(4)14-7)13-12(16)10-6-8(2)17-9(10)3/h5-6H,1-4H3,(H,13,16)
InChIKeyQFMJZFZCSVSVOL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.19
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2811734) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2811734
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)oc2C)n(C)n1
InChIInChI=1S/C12H15N3O2/c1-7-5-11(15(4)14-7)13-12(16)10-6-8(2)17-9(10)3/h5-6H,1-4H3,(H,13,16)
InChIKeyQFMJZFZCSVSVOL-UHFFFAOYSA-N
XLogP2.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide (CID 2811734) is N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(NC(=O)c2cc(C)oc2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QFMJZFZCSVSVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-5-11(15(4)14-7)13-12(16)10-6-8(2)17-9(10)3/h5-6H,1-4H3,(H,13,16).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2811734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).