2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide

C12H20N4O2 — CID 60735821

IUPAC2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-8(16-11(18)12(2,3)4)10(17)13-5-9-6-14-15-7-9/h6-8H,5H2,1-4H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyRSGXWKVIEMFWKO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.58
Rot. Bonds4

About 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide (PubChem CID 60735821) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide
PubChem CID60735821
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-8(16-11(18)12(2,3)4)10(17)13-5-9-6-14-15-7-9/h6-8H,5H2,1-4H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyRSGXWKVIEMFWKO-UHFFFAOYSA-N
XLogP0.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54876993
N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960488
N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963008
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79805078
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79810800
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113339606
2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 130165050
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide (CID 60735821) is 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide?
The InChIKey is RSGXWKVIEMFWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(16-11(18)12(2,3)4)10(17)13-5-9-6-14-15-7-9/h6-8H,5H2,1-4H3,(H,13,17)(H,14,15)(H,16,18).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 60735821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).