2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone

C19H24FN3O — CID 166624279

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(CC2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-12-8-15(4-5-18(12)20)9-16-6-7-23(11-16)19(24)10-17-13(2)21-22-14(17)3/h4-5,8,16H,6-7,9-11H2,1-3H3,(H,21,22)
InChIKeyIAULMLCSIHKGAI-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.11
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 166624279) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID166624279
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(CC2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-12-8-15(4-5-18(12)20)9-16-6-7-23(11-16)19(24)10-17-13(2)21-22-14(17)3/h4-5,8,16H,6-7,9-11H2,1-3H3,(H,21,22)
InChIKeyIAULMLCSIHKGAI-UHFFFAOYSA-N
XLogP3.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone (CID 166624279) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone is Cc1cc(CC2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)ccc1F.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is IAULMLCSIHKGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-12-8-15(4-5-18(12)20)9-16-6-7-23(11-16)19(24)10-17-13(2)21-22-14(17)3/h4-5,8,16H,6-7,9-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166624279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).