N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide

C11H20N4O — CID 43582437

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-11(2,8-15(3)4)7-12-10(16)9-5-13-14-6-9/h5-6H,7-8H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyYFYQFPVEJGYWSU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.73
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide (PubChem CID 43582437) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
PubChem CID43582437
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-11(2,8-15(3)4)7-12-10(16)9-5-13-14-6-9/h5-6H,7-8H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyYFYQFPVEJGYWSU-UHFFFAOYSA-N
XLogP0.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
N-[2-(chloromethyl)-2-ethylbutyl]-1H-pyrazole-4-carboxamide
CID 106253346
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 62151627
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948971
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62186803
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide (CID 43582437) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide is CN(C)CC(C)(C)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YFYQFPVEJGYWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,8-15(3)4)7-12-10(16)9-5-13-14-6-9/h5-6H,7-8H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).