2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide

C13H22N4O2 — CID 71991698

IUPAC2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
SMILESCCCNC(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-11(18)9-17-8-10(7-15-17)16-12(19)13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyUVPMNWITINQCMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds5

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

2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide (PubChem CID 71991698) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
PubChem CID71991698
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
SMILESCCCNC(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-11(18)9-17-8-10(7-15-17)16-12(19)13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyUVPMNWITINQCMW-UHFFFAOYSA-N
XLogP1.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide (CID 71991698) is 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide is CCCNC(=O)Cn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide?
The InChIKey is UVPMNWITINQCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-6-14-11(18)9-17-8-10(7-15-17)16-12(19)13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,14,18)(H,16,19).
What are the key properties of 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 71991698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).