1-[4-(1H-pyrazol-5-yl)phenyl]imidazole

C12H10N4 — CID 1487828

IUPAC1-[4-(1H-pyrazol-5-yl)phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C12H10N4/c1-3-11(16-8-7-13-9-16)4-2-10(1)12-5-6-14-15-12/h1-9H,(H,14,15)
InChIKeyUFXSELGOGDVWDO-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.26
Rot. Bonds2

About 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole

1-[4-(1H-pyrazol-5-yl)phenyl]imidazole (PubChem CID 1487828) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(1H-pyrazol-5-yl)phenyl]imidazole
PubChem CID1487828
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-[4-(1H-pyrazol-5-yl)phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C12H10N4/c1-3-11(16-8-7-13-9-16)4-2-10(1)12-5-6-14-15-12/h1-9H,(H,14,15)
InChIKeyUFXSELGOGDVWDO-UHFFFAOYSA-N
XLogP2.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole?
The IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole (CID 1487828) is 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole?
The canonical SMILES for 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole is c1cn(-c2ccc(-c3ccn[nH]3)cc2)cn1.
What is the InChIKey of 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole?
The InChIKey is UFXSELGOGDVWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-3-11(16-8-7-13-9-16)4-2-10(1)12-5-6-14-15-12/h1-9H,(H,14,15).
What are the key properties of 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole?
1-[4-(1H-pyrazol-5-yl)phenyl]imidazole has a molecular weight of 210.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrazol-5-yl)phenyl]imidazole is sourced from PubChem (CID 1487828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).