1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea

C9H10F3N7O — CID 139017693

IUPAC1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea
SMILESCCn1nccc1NC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N7O/c1-2-19-5(3-4-13-19)14-8(20)16-7-15-6(17-18-7)9(10,11)12/h3-4H,2H2,1H3,(H3,14,15,16,17,18,20)
InChIKeyOYPYXVBZJLXLLV-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea

1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea (PubChem CID 139017693) has the molecular formula C9H10F3N7O and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea
PubChem CID139017693
Molecular FormulaC9H10F3N7O
Molecular Weight289.22 g/mol
Exact Mass289.09
IUPAC Name1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea
SMILESCCn1nccc1NC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N7O/c1-2-19-5(3-4-13-19)14-8(20)16-7-15-6(17-18-7)9(10,11)12/h3-4H,2H2,1H3,(H3,14,15,16,17,18,20)
InChIKeyOYPYXVBZJLXLLV-UHFFFAOYSA-N
XLogP1.68
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea 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 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea (CID 139017693) is 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea is CCn1nccc1NC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea?
The InChIKey is OYPYXVBZJLXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N7O/c1-2-19-5(3-4-13-19)14-8(20)16-7-15-6(17-18-7)9(10,11)12/h3-4H,2H2,1H3,(H3,14,15,16,17,18,20).
What are the key properties of 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea?
1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea has a molecular weight of 289.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]urea is sourced from PubChem (CID 139017693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).