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

C20H25N5 — CID 46980267

IUPAC1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H25N5/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3
InChIKeyACHSCGBBFNOFLB-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.78
Rot. Bonds6

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

1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole (PubChem CID 46980267) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
PubChem CID46980267
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
SMILESCCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H25N5/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3
InChIKeyACHSCGBBFNOFLB-UHFFFAOYSA-N
XLogP3.78
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The IUPAC name of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole (CID 46980267) is 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The canonical SMILES for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole is CCC(CN1CCCC1)n1cncc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
The InChIKey is ACHSCGBBFNOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-2-18(15-23-10-6-7-11-23)24-16-21-13-20(24)17-12-22-25(14-17)19-8-4-3-5-9-19/h3-5,8-9,12-14,16,18H,2,6-7,10-11,15H2,1H3.
What are the key properties of 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole?
1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole has a molecular weight of 335.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole is sourced from PubChem (CID 46980267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).