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

C11H20N4O — CID 86813851

IUPAC2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
SMILESCNC(C)CCNC(=O)c1cc(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(12-3)5-6-13-11(16)10-7-9(2)14-15(10)4/h7-8,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyJCERNPBFUGBDPN-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.46
Rot. Bonds5

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

2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide (PubChem CID 86813851) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
PubChem CID86813851
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
SMILESCNC(C)CCNC(=O)c1cc(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(12-3)5-6-13-11(16)10-7-9(2)14-15(10)4/h7-8,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyJCERNPBFUGBDPN-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
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-[3-(methylamino)butyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide (CID 86813851) is 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide is CNC(C)CCNC(=O)c1cc(C)nn1C.
What is the InChIKey of 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide?
The InChIKey is JCERNPBFUGBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(12-3)5-6-13-11(16)10-7-9(2)14-15(10)4/h7-8,12H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.46, 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-[3-(methylamino)butyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86813851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).