N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C19H20N4O2 — CID 6861731

IUPACN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c(C)o1
InChIInChI=1S/C19H20N4O2/c1-12-10-17(15(4)25-12)19(24)21-20-11-18-13(2)22-23(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,21,24)/b20-11+
InChIKeyPPJJKOWAZTYUCE-RGVLZGJSSA-N
MW336.40 g/mol
LogP3.46
Rot. Bonds4

About N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 6861731) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID6861731
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c(C)o1
InChIInChI=1S/C19H20N4O2/c1-12-10-17(15(4)25-12)19(24)21-20-11-18-13(2)22-23(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,21,24)/b20-11+
InChIKeyPPJJKOWAZTYUCE-RGVLZGJSSA-N
XLogP3.46
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 6861731) is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c(C)o1.
What is the InChIKey of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PPJJKOWAZTYUCE-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-10-17(15(4)25-12)19(24)21-20-11-18-13(2)22-23(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,21,24)/b20-11+.
What are the key properties of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 6861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).