2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide

C10H17N3O2 — CID 82723366

IUPAC2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NOC(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-8(13(5)11-7)9(14)12-15-10(2,3)4/h6H,1-5H3,(H,12,14)
InChIKeyCWRQTJAWRYLWOF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds2

About 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide

2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide (PubChem CID 82723366) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
PubChem CID82723366
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NOC(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-6-8(13(5)11-7)9(14)12-15-10(2,3)4/h6H,1-5H3,(H,12,14)
InChIKeyCWRQTJAWRYLWOF-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
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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Related Compounds

N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
CID 66129033
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107846675
(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-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114148938
ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
CID 6422536
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 13405277
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide (CID 82723366) is 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide is Cc1cc(C(=O)NOC(C)(C)C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide?
The InChIKey is CWRQTJAWRYLWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-6-8(13(5)11-7)9(14)12-15-10(2,3)4/h6H,1-5H3,(H,12,14).
What are the key properties of 2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.19, 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-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide is sourced from PubChem (CID 82723366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).