4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C11H17F3N4O — CID 62077101

IUPAC4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-5-7-8(15)9(17-16-7)10(19)18(4-2)6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyTUOIMUGKXKXLCL-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.97
Rot. Bonds5

About 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077101) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62077101
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-5-7-8(15)9(17-16-7)10(19)18(4-2)6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyTUOIMUGKXKXLCL-UHFFFAOYSA-N
XLogP1.97
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-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 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62077101) is 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(CC)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is TUOIMUGKXKXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-5-7-8(15)9(17-16-7)10(19)18(4-2)6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).