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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Related Compounds

N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 87024266
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107846675
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798

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).