1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C23H26F2N4 — CID 70732263

IUPAC1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(N(C)C)C1
InChIInChI=1S/C23H26F2N4/c1-16-6-4-5-7-20(16)23-17(13-28-11-10-19(15-28)27(2)3)14-29(26-23)22-9-8-18(24)12-21(22)25/h4-9,12,14,19H,10-11,13,15H2,1-3H3
InChIKeyACGKFIPPVJEAOD-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.26
Rot. Bonds5

About 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 70732263) has the molecular formula C23H26F2N4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID70732263
Molecular FormulaC23H26F2N4
Molecular Weight396.49 g/mol
Exact Mass396.21
IUPAC Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(N(C)C)C1
InChIInChI=1S/C23H26F2N4/c1-16-6-4-5-7-20(16)23-17(13-28-11-10-19(15-28)27(2)3)14-29(26-23)22-9-8-18(24)12-21(22)25/h4-9,12,14,19H,10-11,13,15H2,1-3H3
InChIKeyACGKFIPPVJEAOD-UHFFFAOYSA-N
XLogP4.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylpiperidine
CID 72545822
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 45196019
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70757494
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 45234945
(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 28698029
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine
CID 26322474
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 25381885
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 42591952

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 70732263) is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(N(C)C)C1.
What is the InChIKey of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ACGKFIPPVJEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4/c1-16-6-4-5-7-20(16)23-17(13-28-11-10-19(15-28)27(2)3)14-29(26-23)22-9-8-18(24)12-21(22)25/h4-9,12,14,19H,10-11,13,15H2,1-3H3.
What are the key properties of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 396.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 70732263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).