N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C15H19N5O — CID 4284932

IUPACN-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N5O/c1-10-9-14(18-16-10)15(21)19-17-11(2)12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,16,18)(H,19,21)
InChIKeyILROEOMPIJHCLW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 4284932) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID4284932
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N5O/c1-10-9-14(18-16-10)15(21)19-17-11(2)12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,16,18)(H,19,21)
InChIKeyILROEOMPIJHCLW-UHFFFAOYSA-N
XLogP1.94
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 5424926
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484314
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6210471
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 4284932) is N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(C)[nH]n1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ILROEOMPIJHCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-9-14(18-16-10)15(21)19-17-11(2)12-5-7-13(8-6-12)20(3)4/h5-9H,1-4H3,(H,16,18)(H,19,21).
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4284932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).