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

C11H19N3O2 — CID 103021329

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H19N3O2/c1-7-8(2)13-14-10(7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H2,12,13,14,15)
InChIKeyMQKYQHKDXXRTAW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.78
Rot. Bonds4

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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide (PubChem CID 103021329) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide
PubChem CID103021329
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H19N3O2/c1-7-8(2)13-14-10(7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H2,12,13,14,15)
InChIKeyMQKYQHKDXXRTAW-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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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide (CID 103021329) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is MQKYQHKDXXRTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-8(2)13-14-10(7)12-9(15)6-11(3,4)16-5/h6H2,1-5H3,(H2,12,13,14,15).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide?
N-(4,5-dimethyl-1H-pyrazol-3-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-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).