N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide

C10H15N3O2 — CID 64991887

IUPACN-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)8(14)6-11-9(15)7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyJEYWYEVVIQXOSC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide (PubChem CID 64991887) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
PubChem CID64991887
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)8(14)6-11-9(15)7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyJEYWYEVVIQXOSC-UHFFFAOYSA-N
XLogP0.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
CID 43582437
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-[2-(chloromethyl)-2-ethylbutyl]-1H-pyrazole-4-carboxamide
CID 106253346
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
CID 61258651
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide (CID 64991887) is N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide is CC(C)(C)C(=O)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JEYWYEVVIQXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)8(14)6-11-9(15)7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64991887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).