1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide

C11H20N4O2 — CID 63758232

IUPAC1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide
SMILESCCCNCCOc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H20N4O2/c1-4-5-13-6-7-17-11-9(10(12)16)8(2)14-15(11)3/h13H,4-7H2,1-3H3,(H2,12,16)
InChIKeyXMKOKPXDDISFQB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.21
Rot. Bonds7

About 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide

1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide (PubChem CID 63758232) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide
PubChem CID63758232
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide
SMILESCCCNCCOc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H20N4O2/c1-4-5-13-6-7-17-11-9(10(12)16)8(2)14-15(11)3/h13H,4-7H2,1-3H3,(H2,12,16)
InChIKeyXMKOKPXDDISFQB-UHFFFAOYSA-N
XLogP0.21
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide (CID 63758232) is 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide is CCCNCCOc1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide?
The InChIKey is XMKOKPXDDISFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-13-6-7-17-11-9(10(12)16)8(2)14-15(11)3/h13H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide?
1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(propylamino)ethoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 63758232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).