2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide

C11H20N4O — CID 81487439

IUPAC2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(6-12-3)7-13-11(16)10-5-9(2)14-15(10)4/h5,8,12H,6-7H2,1-4H3,(H,13,16)
InChIKeyKZJULXAPKBPHRG-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.31
Rot. Bonds5

About 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide (PubChem CID 81487439) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
PubChem CID81487439
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
SMILESCNCC(C)CNC(=O)c1cc(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(6-12-3)7-13-11(16)10-5-9(2)14-15(10)4/h5,8,12H,6-7H2,1-4H3,(H,13,16)
InChIKeyKZJULXAPKBPHRG-UHFFFAOYSA-N
XLogP0.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide (CID 81487439) is 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide is CNCC(C)CNC(=O)c1cc(C)nn1C.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is KZJULXAPKBPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(6-12-3)7-13-11(16)10-5-9(2)14-15(10)4/h5,8,12H,6-7H2,1-4H3,(H,13,16).
What are the key properties of 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 81487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).