2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide

C12H20N4O2 — CID 54897648

IUPAC2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)11(18)13-5-4-10(17)14-6-9-7-15-16-8-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyKPSJHZKEUVCIGY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.58
Rot. Bonds5

About 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide (PubChem CID 54897648) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide
PubChem CID54897648
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)11(18)13-5-4-10(17)14-6-9-7-15-16-8-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyKPSJHZKEUVCIGY-UHFFFAOYSA-N
XLogP0.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61004307
N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227651
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710055
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64047506
3,3,3-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 64053125
2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 64054581
4,4,4-trifluoro-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711585

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide (CID 54897648) is 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide?
The InChIKey is KPSJHZKEUVCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)11(18)13-5-4-10(17)14-6-9-7-15-16-8-9/h7-8H,4-6H2,1-3H3,(H,13,18)(H,14,17)(H,15,16).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-(1H-pyrazol-4-ylmethylamino)propyl]propanamide is sourced from PubChem (CID 54897648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).