3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C11H17F3N4O2 — CID 64523289

IUPAC3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H17F3N4O2/c1-2-20-5-3-4-18(7-11(12,13)14)10(19)8-6-9(15)17-16-8/h6H,2-5,7H2,1H3,(H3,15,16,17)
InChIKeyQZDWWZRUJNNLOT-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.42
Rot. Bonds7

About 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523289) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64523289
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H17F3N4O2/c1-2-20-5-3-4-18(7-11(12,13)14)10(19)8-6-9(15)17-16-8/h6H,2-5,7H2,1H3,(H3,15,16,17)
InChIKeyQZDWWZRUJNNLOT-UHFFFAOYSA-N
XLogP1.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64523289) is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QZDWWZRUJNNLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-2-20-5-3-4-18(7-11(12,13)14)10(19)8-6-9(15)17-16-8/h6H,2-5,7H2,1H3,(H3,15,16,17).
What are the key properties of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).