1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole

C20H24FN5 — CID 46980325

IUPAC1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN5/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3
InChIKeyCQFNADHZVVWXTF-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole

1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole (PubChem CID 46980325) has the molecular formula C20H24FN5 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
PubChem CID46980325
Molecular FormulaC20H24FN5
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN5/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3
InChIKeyCQFNADHZVVWXTF-UHFFFAOYSA-N
XLogP3.92
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole (CID 46980325) is 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole is CCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The InChIKey is CQFNADHZVVWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-2-18(14-24-9-3-4-10-24)25-15-22-12-20(25)16-11-23-26(13-16)19-7-5-17(21)6-8-19/h5-8,11-13,15,18H,2-4,9-10,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole has a molecular weight of 353.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole is sourced from PubChem (CID 46980325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).