1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide

C14H25N3O2 — CID 70710179

IUPAC1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCCOC
InChIInChI=1S/C14H25N3O2/c1-5-17-13(10-12(16-17)9-11(2)3)14(18)15-7-6-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeySSXXDJMLZVAWHG-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.87
Rot. Bonds8

About 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70710179) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70710179
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCCCOC
InChIInChI=1S/C14H25N3O2/c1-5-17-13(10-12(16-17)9-11(2)3)14(18)15-7-6-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeySSXXDJMLZVAWHG-UHFFFAOYSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.87
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 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70710179) is 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCCCOC.
What is the InChIKey of 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is SSXXDJMLZVAWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-17-13(10-12(16-17)9-11(2)3)14(18)15-7-6-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70710179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).