3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol

C19H18N4O2 — CID 50956519

IUPAC3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol
SMILESOCCCn1cnc(-c2ccccc2)c1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C19H18N4O2/c24-12-4-11-23-13-20-18(14-5-2-1-3-6-14)19(23)17-8-7-16(25-17)15-9-10-21-22-15/h1-3,5-10,13,24H,4,11-12H2,(H,21,22)
InChIKeyQQCNAZCODXBZGF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.58
Rot. Bonds6

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

3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol (PubChem CID 50956519) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol
PubChem CID50956519
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol
SMILESOCCCn1cnc(-c2ccccc2)c1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C19H18N4O2/c24-12-4-11-23-13-20-18(14-5-2-1-3-6-14)19(23)17-8-7-16(25-17)15-9-10-21-22-15/h1-3,5-10,13,24H,4,11-12H2,(H,21,22)
InChIKeyQQCNAZCODXBZGF-UHFFFAOYSA-N
XLogP3.58
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol (CID 50956519) is 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol is OCCCn1cnc(-c2ccccc2)c1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol?
The InChIKey is QQCNAZCODXBZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-12-4-11-23-13-20-18(14-5-2-1-3-6-14)19(23)17-8-7-16(25-17)15-9-10-21-22-15/h1-3,5-10,13,24H,4,11-12H2,(H,21,22).
What are the key properties of 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol?
3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol has a molecular weight of 334.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 50956519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).