1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

C19H21N5O — CID 56744956

IUPAC1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H21N5O/c25-18-7-2-10-22(18)11-4-12-23-14-9-20-19(23)16-5-1-6-17(15-16)24-13-3-8-21-24/h1,3,5-6,8-9,13-15H,2,4,7,10-12H2
InChIKeyKOZCHELQQIIJCE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds6

About 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (PubChem CID 56744956) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
PubChem CID56744956
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H21N5O/c25-18-7-2-10-22(18)11-4-12-23-14-9-20-19(23)16-5-1-6-17(15-16)24-13-3-8-21-24/h1,3,5-6,8-9,13-15H,2,4,7,10-12H2
InChIKeyKOZCHELQQIIJCE-UHFFFAOYSA-N
XLogP2.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (CID 56744956) is 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1ccnc1-c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is KOZCHELQQIIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-18-7-2-10-22(18)11-4-12-23-14-9-20-19(23)16-5-1-6-17(15-16)24-13-3-8-21-24/h1,3,5-6,8-9,13-15H,2,4,7,10-12H2.
What are the key properties of 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56744956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).