1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C23H27FN4 — CID 45179657

IUPAC1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(-n2cc(CN3CCC(N(C)C)C3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H27FN4/c1-17-4-10-21(11-5-17)28-15-19(14-27-13-12-22(16-27)26(2)3)23(25-28)18-6-8-20(24)9-7-18/h4-11,15,22H,12-14,16H2,1-3H3
InChIKeyVTFQVJXPQJHLPT-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.12
Rot. Bonds5

About 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 45179657) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID45179657
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(-n2cc(CN3CCC(N(C)C)C3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H27FN4/c1-17-4-10-21(11-5-17)28-15-19(14-27-13-12-22(16-27)26(2)3)23(25-28)18-6-8-20(24)9-7-18/h4-11,15,22H,12-14,16H2,1-3H3
InChIKeyVTFQVJXPQJHLPT-UHFFFAOYSA-N
XLogP4.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 45179657) is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(-n2cc(CN3CCC(N(C)C)C3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is VTFQVJXPQJHLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c1-17-4-10-21(11-5-17)28-15-19(14-27-13-12-22(16-27)26(2)3)23(25-28)18-6-8-20(24)9-7-18/h4-11,15,22H,12-14,16H2,1-3H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 378.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 45179657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).