N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide

C11H19N3O2 — CID 103021266

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-7-10(8(2)14-13-7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyWSBVMLMHIMDSBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.78
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide (PubChem CID 103021266) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide
PubChem CID103021266
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-7-10(8(2)14-13-7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyWSBVMLMHIMDSBT-UHFFFAOYSA-N
XLogP1.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-Dimethyl-1H-pyrazol-4-yl)butanamide
CID 740336
N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 745362
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
CID 43399085
tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
CID 43546929
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
CID 54592691
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43546777
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide
CID 43546967
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 65711582
ethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2,2-difluoro-3-oxopropanoate
CID 112743067
3-(2,2-difluoroethoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 113788412
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 126787594
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-difluorobutanamide
CID 126795470

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide (CID 103021266) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is WSBVMLMHIMDSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-10(8(2)14-13-7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide has a molecular weight of 225.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).