N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide

C14H18N4O — CID 9183242

IUPACN'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCCN(NC(=O)c1cnn(C)c1)c1ccc(C)cc1
InChIInChI=1S/C14H18N4O/c1-4-18(13-7-5-11(2)6-8-13)16-14(19)12-9-15-17(3)10-12/h5-10H,4H2,1-3H3,(H,16,19)
InChIKeyIBXIKBNQVOOEFP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.90
Rot. Bonds4

About N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide

N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide (PubChem CID 9183242) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide
PubChem CID9183242
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCCN(NC(=O)c1cnn(C)c1)c1ccc(C)cc1
InChIInChI=1S/C14H18N4O/c1-4-18(13-7-5-11(2)6-8-13)16-14(19)12-9-15-17(3)10-12/h5-10H,4H2,1-3H3,(H,16,19)
InChIKeyIBXIKBNQVOOEFP-UHFFFAOYSA-N
XLogP1.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide (CID 9183242) is N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide is CCN(NC(=O)c1cnn(C)c1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide?
The InChIKey is IBXIKBNQVOOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-18(13-7-5-11(2)6-8-13)16-14(19)12-9-15-17(3)10-12/h5-10H,4H2,1-3H3,(H,16,19).
What are the key properties of N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide?
N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide has a molecular weight of 258.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 9183242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).