N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide

C18H19N3O3 — CID 1245155

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1
InChIInChI=1S/C18H19N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,19,22)
InChIKeyIACKEIMCXWSACL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.95
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 1245155) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID1245155
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1
InChIInChI=1S/C18H19N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,19,22)
InChIKeyIACKEIMCXWSACL-UHFFFAOYSA-N
XLogP2.95
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide (CID 1245155) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IACKEIMCXWSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-10-15(13(3)24-11)17(22)19-16-12(2)20(4)21(18(16)23)14-8-6-5-7-9-14/h5-10H,1-4H3,(H,19,22).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1245155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).