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

C17H16N6O — CID 6863602

IUPACN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C17H16N6O/c1-12-15(10-20-21-17(24)16-11-18-8-9-19-16)13(2)23(22-12)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,24)/b20-10+
InChIKeyOLJVZPPNLROHQU-KEBDBYFISA-N
MW320.36 g/mol
LogP2.04
Rot. Bonds4

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

N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 6863602) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide
PubChem CID6863602
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cnccn1
InChIInChI=1S/C17H16N6O/c1-12-15(10-20-21-17(24)16-11-18-8-9-19-16)13(2)23(22-12)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,24)/b20-10+
InChIKeyOLJVZPPNLROHQU-KEBDBYFISA-N
XLogP2.04
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide (CID 6863602) is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cnccn1.
What is the InChIKey of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is OLJVZPPNLROHQU-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16N6O/c1-12-15(10-20-21-17(24)16-11-18-8-9-19-16)13(2)23(22-12)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 6863602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).