3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one

C15H17N3O — CID 141430302

IUPAC3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(CC3CCNC3=O)[nH]n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)14-9-13(17-18-14)8-12-6-7-16-15(12)19/h2-5,9,12H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyXHIFRQROCHBRDL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.06
Rot. Bonds3

About 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one

3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 141430302) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID141430302
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(CC3CCNC3=O)[nH]n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)14-9-13(17-18-14)8-12-6-7-16-15(12)19/h2-5,9,12H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyXHIFRQROCHBRDL-UHFFFAOYSA-N
XLogP2.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one (CID 141430302) is 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one is Cc1ccc(-c2cc(CC3CCNC3=O)[nH]n2)cc1.
What is the InChIKey of 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is XHIFRQROCHBRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)14-9-13(17-18-14)8-12-6-7-16-15(12)19/h2-5,9,12H,6-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one?
3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141430302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).