1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole

C14H14N4O — CID 58294226

IUPAC1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCn2cccn2)c1
InChIInChI=1S/C14H14N4O/c1-2-5-14(12(4-1)13-10-15-11-16-13)19-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,15,16)
InChIKeyBJCLQFNXHRPECT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole

1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole (PubChem CID 58294226) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole
PubChem CID58294226
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCn2cccn2)c1
InChIInChI=1S/C14H14N4O/c1-2-5-14(12(4-1)13-10-15-11-16-13)19-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,15,16)
InChIKeyBJCLQFNXHRPECT-UHFFFAOYSA-N
XLogP2.35
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole 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-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole?
The IUPAC name of 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole (CID 58294226) is 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole.
What is the SMILES notation for 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole?
The canonical SMILES for 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole is c1ccc(-c2cnc[nH]2)c(OCCn2cccn2)c1.
What is the InChIKey of 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole?
The InChIKey is BJCLQFNXHRPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-5-14(12(4-1)13-10-15-11-16-13)19-9-8-18-7-3-6-17-18/h1-7,10-11H,8-9H2,(H,15,16).
What are the key properties of 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole?
1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole has a molecular weight of 254.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrazole is sourced from PubChem (CID 58294226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).