3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole

C12H12N4 — CID 102467646

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole
SMILESc1ccc(-n2ccc(C3=NCCN3)n2)cc1
InChIInChI=1S/C12H12N4/c1-2-4-10(5-3-1)16-9-6-11(15-16)12-13-7-8-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyNFFLHYAWZJSIKG-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.22
Rot. Bonds2

About 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole

3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole (PubChem CID 102467646) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole
PubChem CID102467646
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole
SMILESc1ccc(-n2ccc(C3=NCCN3)n2)cc1
InChIInChI=1S/C12H12N4/c1-2-4-10(5-3-1)16-9-6-11(15-16)12-13-7-8-14-12/h1-6,9H,7-8H2,(H,13,14)
InChIKeyNFFLHYAWZJSIKG-UHFFFAOYSA-N
XLogP1.22
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole (CID 102467646) is 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole is c1ccc(-n2ccc(C3=NCCN3)n2)cc1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole?
The InChIKey is NFFLHYAWZJSIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-10(5-3-1)16-9-6-11(15-16)12-13-7-8-14-12/h1-6,9H,7-8H2,(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole?
3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole has a molecular weight of 212.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylpyrazole is sourced from PubChem (CID 102467646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).