1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole

C20H18N4O — CID 50975957

IUPAC1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(Cc3cc(C4CC4)n[nH]3)c2-c2ccoc2)cc1
InChIInChI=1S/C20H18N4O/c1-2-4-15(5-3-1)19-20(16-8-9-25-12-16)24(13-21-19)11-17-10-18(23-22-17)14-6-7-14/h1-5,8-10,12-14H,6-7,11H2,(H,22,23)
InChIKeyRXTHHLUGWHXOOR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds5

About 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole

1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole (PubChem CID 50975957) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole
PubChem CID50975957
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(Cc3cc(C4CC4)n[nH]3)c2-c2ccoc2)cc1
InChIInChI=1S/C20H18N4O/c1-2-4-15(5-3-1)19-20(16-8-9-25-12-16)24(13-21-19)11-17-10-18(23-22-17)14-6-7-14/h1-5,8-10,12-14H,6-7,11H2,(H,22,23)
InChIKeyRXTHHLUGWHXOOR-UHFFFAOYSA-N
XLogP4.46
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole?
The IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole (CID 50975957) is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole?
The canonical SMILES for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole is c1ccc(-c2ncn(Cc3cc(C4CC4)n[nH]3)c2-c2ccoc2)cc1.
What is the InChIKey of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole?
The InChIKey is RXTHHLUGWHXOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-4-15(5-3-1)19-20(16-8-9-25-12-16)24(13-21-19)11-17-10-18(23-22-17)14-6-7-14/h1-5,8-10,12-14H,6-7,11H2,(H,22,23).
What are the key properties of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole?
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole has a molecular weight of 330.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-(furan-3-yl)-4-phenylimidazole is sourced from PubChem (CID 50975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).