2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide

C11H18N4O2 — CID 30541643

IUPAC2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCn1ccc(NC(=O)CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)10(17)12-7-9(16)13-8-5-6-15(4)14-8/h5-6H,7H2,1-4H3,(H,12,17)(H,13,14,16)
InChIKeySCHRYJOQLXODQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds3

About 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide (PubChem CID 30541643) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
PubChem CID30541643
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCn1ccc(NC(=O)CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)10(17)12-7-9(16)13-8-5-6-15(4)14-8/h5-6H,7H2,1-4H3,(H,12,17)(H,13,14,16)
InChIKeySCHRYJOQLXODQQ-UHFFFAOYSA-N
XLogP0.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1H-pyrazol-1-yl)acetamide
CID 45791969
1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
2-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 47003138
2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 60783095
N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
N-(1-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 30345727
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
N-[2-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 53557992
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
1-Cyclopropyl-3-[(1-methylpyrazol-3-YL)amino]pyrrolidin-2-one
CID 71924741
3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide (CID 30541643) is 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide is Cn1ccc(NC(=O)CNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is SCHRYJOQLXODQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)10(17)12-7-9(16)13-8-5-6-15(4)14-8/h5-6H,7H2,1-4H3,(H,12,17)(H,13,14,16).
What are the key properties of 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 30541643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).