N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide

C13H23N3O2 — CID 77080245

IUPACN-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCOC(CC)CNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-5-12(18-6-2)8-14-13(17)11-7-15-16(9-11)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQMIVWTPXKKXFCK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.01
Rot. Bonds7

About N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide

N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 77080245) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID77080245
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCOC(CC)CNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-5-12(18-6-2)8-14-13(17)11-7-15-16(9-11)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQMIVWTPXKKXFCK-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 77080245) is N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide is CCOC(CC)CNC(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is QMIVWTPXKKXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-12(18-6-2)8-14-13(17)11-7-15-16(9-11)10(3)4/h7,9-10,12H,5-6,8H2,1-4H3,(H,14,17).
What are the key properties of N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxybutyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 77080245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).