4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C10H15F3N4O2 — CID 132586523

IUPAC4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(CC(F)(F)F)cc1N
InChIInChI=1S/C10H15F3N4O2/c1-19-4-2-3-15-9(18)8-7(14)5-17(16-8)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,18)
InChIKeyUQJOPQFSXAITNY-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.79
Rot. Bonds6

About 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 132586523) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID132586523
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(CC(F)(F)F)cc1N
InChIInChI=1S/C10H15F3N4O2/c1-19-4-2-3-15-9(18)8-7(14)5-17(16-8)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,18)
InChIKeyUQJOPQFSXAITNY-UHFFFAOYSA-N
XLogP0.79
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.79
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 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 132586523) is 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is COCCCNC(=O)c1nn(CC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is UQJOPQFSXAITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-19-4-2-3-15-9(18)8-7(14)5-17(16-8)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 132586523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).