methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate

C17H20N6O2 — CID 121440223

IUPACmethyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate
SMILESCCN(CCn1ccc(C(=O)OC)n1)c1ccccc1-n1nccn1
InChIInChI=1S/C17H20N6O2/c1-3-21(12-13-22-11-8-14(20-22)17(24)25-2)15-6-4-5-7-16(15)23-18-9-10-19-23/h4-11H,3,12-13H2,1-2H3
InChIKeyVBMXRAKCGQHDLV-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.78
Rot. Bonds7

About methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate

methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate (PubChem CID 121440223) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate
PubChem CID121440223
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Namemethyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate
SMILESCCN(CCn1ccc(C(=O)OC)n1)c1ccccc1-n1nccn1
InChIInChI=1S/C17H20N6O2/c1-3-21(12-13-22-11-8-14(20-22)17(24)25-2)15-6-4-5-7-16(15)23-18-9-10-19-23/h4-11H,3,12-13H2,1-2H3
InChIKeyVBMXRAKCGQHDLV-UHFFFAOYSA-N
XLogP1.78
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate 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 methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate (CID 121440223) is methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate is CCN(CCn1ccc(C(=O)OC)n1)c1ccccc1-n1nccn1.
What is the InChIKey of methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate?
The InChIKey is VBMXRAKCGQHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-21(12-13-22-11-8-14(20-22)17(24)25-2)15-6-4-5-7-16(15)23-18-9-10-19-23/h4-11H,3,12-13H2,1-2H3.
What are the key properties of methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate?
methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[N-ethyl-2-(triazol-2-yl)anilino]ethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 121440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).