5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide

C10H18N4O2 — CID 63758058

IUPAC5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNCCOc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H18N4O2/c1-4-12-5-6-16-10-8(9(11)15)7(2)13-14(10)3/h12H,4-6H2,1-3H3,(H2,11,15)
InChIKeyPSJCEZOPZDXNIR-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.18
Rot. Bonds6

About 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide

5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 63758058) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID63758058
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNCCOc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H18N4O2/c1-4-12-5-6-16-10-8(9(11)15)7(2)13-14(10)3/h12H,4-6H2,1-3H3,(H2,11,15)
InChIKeyPSJCEZOPZDXNIR-UHFFFAOYSA-N
XLogP-0.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.18
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 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide (CID 63758058) is 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide is CCNCCOc1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PSJCEZOPZDXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-12-5-6-16-10-8(9(11)15)7(2)13-14(10)3/h12H,4-6H2,1-3H3,(H2,11,15).
What are the key properties of 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide?
5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethoxy]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63758058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).