3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide

C11H19N3O2 — CID 66121139

IUPAC3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)CO)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-8-6-9(14(4)13-8)10(16)12-11(2,3)7-15/h6,15H,5,7H2,1-4H3,(H,12,16)
InChIKeyVWJZAFNAHDESDJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.48
Rot. Bonds4

About 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide

3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 66121139) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID66121139
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)CO)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-8-6-9(14(4)13-8)10(16)12-11(2,3)7-15/h6,15H,5,7H2,1-4H3,(H,12,16)
InChIKeyVWJZAFNAHDESDJ-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107868167
N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115309756
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
tert-butyl 3-ethyl-1-methylpyrazole-5-carboxylate
CID 66120943
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-(4-bromo-2,2-dimethylbutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106143809

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide (CID 66121139) is 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)(C)CO)n(C)n1.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VWJZAFNAHDESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-8-6-9(14(4)13-8)10(16)12-11(2,3)7-15/h6,15H,5,7H2,1-4H3,(H,12,16).
What are the key properties of 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide?
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).