4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide

C11H18ClN3O2 — CID 19263505

IUPAC4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C11H18ClN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyHBCNVXBJBPTKCF-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.71
Rot. Bonds7

About 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide

4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 19263505) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
PubChem CID19263505
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C11H18ClN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyHBCNVXBJBPTKCF-UHFFFAOYSA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.71
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 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide (CID 19263505) is 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide is CCOCCCNC(=O)c1nn(CC)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is HBCNVXBJBPTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-15-8-9(12)10(14-15)11(16)13-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide?
4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 259.74 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).