1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C22H27FN4S — CID 70783086

IUPAC1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(N(C)C)C2)c(C)s1
InChIInChI=1S/C22H27FN4S/c1-15-11-19(16(2)28-15)22-17(12-26-10-9-18(14-26)25(3)4)13-27(24-22)21-8-6-5-7-20(21)23/h5-8,11,13,18H,9-10,12,14H2,1-4H3
InChIKeyXSGZHIRPLJXAJV-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.49
Rot. Bonds5

About 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 70783086) has the molecular formula C22H27FN4S and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID70783086
Molecular FormulaC22H27FN4S
Molecular Weight398.55 g/mol
Exact Mass398.19
IUPAC Name1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(N(C)C)C2)c(C)s1
InChIInChI=1S/C22H27FN4S/c1-15-11-19(16(2)28-15)22-17(12-26-10-9-18(14-26)25(3)4)13-27(24-22)21-8-6-5-7-20(21)23/h5-8,11,13,18H,9-10,12,14H2,1-4H3
InChIKeyXSGZHIRPLJXAJV-UHFFFAOYSA-N
XLogP4.49
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 70783086) is 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCC(N(C)C)C2)c(C)s1.
What is the InChIKey of 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XSGZHIRPLJXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4S/c1-15-11-19(16(2)28-15)22-17(12-26-10-9-18(14-26)25(3)4)13-27(24-22)21-8-6-5-7-20(21)23/h5-8,11,13,18H,9-10,12,14H2,1-4H3.
What are the key properties of 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 398.55 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 70783086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).