1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole

C18H16N4S — CID 95477004

IUPAC1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
SMILESC[C@H](c1cnn(-c2ccccc2)c1)n1ccnc1-c1ccsc1
InChIInChI=1S/C18H16N4S/c1-14(21-9-8-19-18(21)15-7-10-23-13-15)16-11-20-22(12-16)17-5-3-2-4-6-17/h2-14H,1H3/t14-/m1/s1
InChIKeyLHEDIGBDQDHBLK-CQSZACIVSA-N
MW320.42 g/mol
LogP4.41
Rot. Bonds4

About 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole

1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole (PubChem CID 95477004) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
PubChem CID95477004
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
SMILESC[C@H](c1cnn(-c2ccccc2)c1)n1ccnc1-c1ccsc1
InChIInChI=1S/C18H16N4S/c1-14(21-9-8-19-18(21)15-7-10-23-13-15)16-11-20-22(12-16)17-5-3-2-4-6-17/h2-14H,1H3/t14-/m1/s1
InChIKeyLHEDIGBDQDHBLK-CQSZACIVSA-N
XLogP4.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)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-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The IUPAC name of 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole (CID 95477004) is 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The canonical SMILES for 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole is C[C@H](c1cnn(-c2ccccc2)c1)n1ccnc1-c1ccsc1.
What is the InChIKey of 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The InChIKey is LHEDIGBDQDHBLK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N4S/c1-14(21-9-8-19-18(21)15-7-10-23-13-15)16-11-20-22(12-16)17-5-3-2-4-6-17/h2-14H,1H3/t14-/m1/s1.
What are the key properties of 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole has a molecular weight of 320.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole is sourced from PubChem (CID 95477004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).