3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide

C9H13F3N4O2 — CID 63834079

IUPAC3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-5-6(7(13)16-15-5)8(17)14-2-3-18-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyOAOAJDZZRAAQJM-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 63834079) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID63834079
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-5-6(7(13)16-15-5)8(17)14-2-3-18-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyOAOAJDZZRAAQJM-UHFFFAOYSA-N
XLogP0.61
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide (CID 63834079) is 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OAOAJDZZRAAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5-6(7(13)16-15-5)8(17)14-2-3-18-4-9(10,11)12/h2-4H2,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63834079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).