3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide

C23H28N4O — CID 155718576

IUPAC3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide
SMILESC=C/C(=N\C(=C\C)c1cccc(C)c1)C(C)NC(=O)c1cc(C2CC2)nn1C
InChIInChI=1S/C23H28N4O/c1-6-19(25-20(7-2)18-10-8-9-15(3)13-18)16(4)24-23(28)22-14-21(17-11-12-17)26-27(22)5/h6-10,13-14,16-17H,1,11-12H2,2-5H3,(H,24,28)/b20-7+,25-19+
InChIKeyMXCJIWVHZYMVBM-AERYPBJOSA-N
MW376.50 g/mol
LogP4.41
Rot. Bonds7

About 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide

3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide (PubChem CID 155718576) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide
PubChem CID155718576
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide
SMILESC=C/C(=N\C(=C\C)c1cccc(C)c1)C(C)NC(=O)c1cc(C2CC2)nn1C
InChIInChI=1S/C23H28N4O/c1-6-19(25-20(7-2)18-10-8-9-15(3)13-18)16(4)24-23(28)22-14-21(17-11-12-17)26-27(22)5/h6-10,13-14,16-17H,1,11-12H2,2-5H3,(H,24,28)/b20-7+,25-19+
InChIKeyMXCJIWVHZYMVBM-AERYPBJOSA-N
XLogP4.41
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-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 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide (CID 155718576) is 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide is C=C/C(=N\C(=C\C)c1cccc(C)c1)C(C)NC(=O)c1cc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide?
The InChIKey is MXCJIWVHZYMVBM-AERYPBJOSA-N. The full InChI is InChI=1S/C23H28N4O/c1-6-19(25-20(7-2)18-10-8-9-15(3)13-18)16(4)24-23(28)22-14-21(17-11-12-17)26-27(22)5/h6-10,13-14,16-17H,1,11-12H2,2-5H3,(H,24,28)/b20-7+,25-19+.
What are the key properties of 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide?
3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[3-[(E)-1-(3-methylphenyl)prop-1-enyl]iminopent-4-en-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 155718576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).