1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide

C13H14N4O — CID 725209

IUPAC1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C13H14N4O/c1-10-3-5-11(6-4-10)9-14-15-13(18)12-7-8-17(2)16-12/h3-9H,1-2H3,(H,15,18)
InChIKeyDEKBKNPPHMUEIR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.49
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide

1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 725209) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
PubChem CID725209
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C13H14N4O/c1-10-3-5-11(6-4-10)9-14-15-13(18)12-7-8-17(2)16-12/h3-9H,1-2H3,(H,15,18)
InChIKeyDEKBKNPPHMUEIR-UHFFFAOYSA-N
XLogP1.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
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

1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171983195
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1014815
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725191
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
1-methyl-N-[(Z)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyrazole-3-carboxamide
CID 6391064
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 136742612
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide (CID 725209) is 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide is Cc1ccc(C=NNC(=O)c2ccn(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is DEKBKNPPHMUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10-3-5-11(6-4-10)9-14-15-13(18)12-7-8-17(2)16-12/h3-9H,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide?
1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 725209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).