N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H20N4O — CID 44722292

IUPACN-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc(C)cc1
InChIInChI=1S/C16H20N4O/c1-10(2)14-9-15(19-18-14)16(21)20-17-12(4)13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,18,19)(H,20,21)/b17-12+
InChIKeyZAXKRNJHCSQEAH-SFQUDFHCSA-N
MW284.36 g/mol
LogP3.00
Rot. Bonds4

About N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 44722292) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID44722292
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc(C)cc1
InChIInChI=1S/C16H20N4O/c1-10(2)14-9-15(19-18-14)16(21)20-17-12(4)13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,18,19)(H,20,21)/b17-12+
InChIKeyZAXKRNJHCSQEAH-SFQUDFHCSA-N
XLogP3.00
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 44722292) is N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZAXKRNJHCSQEAH-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)14-9-15(19-18-14)16(21)20-17-12(4)13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,18,19)(H,20,21)/b17-12+.
What are the key properties of N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 44722292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).