2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide

C10H16N4O2 — CID 43429563

IUPAC2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)9(16)11-6-8(15)14-7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyNJTLRWNKDQMCII-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.51
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide (PubChem CID 43429563) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
PubChem CID43429563
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)9(16)11-6-8(15)14-7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyNJTLRWNKDQMCII-UHFFFAOYSA-N
XLogP0.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide (CID 43429563) is 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The InChIKey is NJTLRWNKDQMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)9(16)11-6-8(15)14-7-4-12-13-5-7/h4-5H,6H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide is sourced from PubChem (CID 43429563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).