2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

C18H14N4O — CID 2474256

IUPAC2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H14N4O/c23-14-9-5-4-8-13(14)17-15(18-19-10-11-20-18)16(21-22-17)12-6-2-1-3-7-12/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyRHFXQXQZJXPIPT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.84
Rot. Bonds3

About 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol

2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (PubChem CID 2474256) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
PubChem CID2474256
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C18H14N4O/c23-14-9-5-4-8-13(14)17-15(18-19-10-11-20-18)16(21-22-17)12-6-2-1-3-7-12/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyRHFXQXQZJXPIPT-UHFFFAOYSA-N
XLogP3.84
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol (CID 2474256) is 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1[nH]nc(-c2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
The InChIKey is RHFXQXQZJXPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-14-9-5-4-8-13(14)17-15(18-19-10-11-20-18)16(21-22-17)12-6-2-1-3-7-12/h1-11,23H,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol?
2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-3-phenyl-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 2474256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).