N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide

C12H21N3O2 — CID 19474450

IUPACN-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(CC)nc1C
InChIInChI=1S/C12H21N3O2/c1-4-15-9-11(10(3)14-15)12(16)13-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyHMCZJEAHUQWTGW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds7

About N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide

N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474450) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474450
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(CC)nc1C
InChIInChI=1S/C12H21N3O2/c1-4-15-9-11(10(3)14-15)12(16)13-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyHMCZJEAHUQWTGW-UHFFFAOYSA-N
XLogP1.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474450) is N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide is CCOCCCNC(=O)c1cn(CC)nc1C.
What is the InChIKey of N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is HMCZJEAHUQWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-9-11(10(3)14-15)12(16)13-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).