2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide

C9H14N4O — CID 13405277

IUPAC2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
SMILESCC(C)=NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C9H14N4O/c1-6(2)10-11-9(14)8-5-7(3)12-13(8)4/h5H,1-4H3,(H,11,14)
InChIKeyILYNBDADBNSWDM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.85
Rot. Bonds2

About 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide

2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide (PubChem CID 13405277) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
PubChem CID13405277
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
SMILESCC(C)=NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C9H14N4O/c1-6(2)10-11-9(14)8-5-7(3)12-13(8)4/h5H,1-4H3,(H,11,14)
InChIKeyILYNBDADBNSWDM-UHFFFAOYSA-N
XLogP0.85
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide (CID 13405277) is 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide is CC(C)=NNC(=O)c1cc(C)nn1C.
What is the InChIKey of 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The InChIKey is ILYNBDADBNSWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)10-11-9(14)8-5-7(3)12-13(8)4/h5H,1-4H3,(H,11,14).
What are the key properties of 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide is sourced from PubChem (CID 13405277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).