1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine

C19H28N4 — CID 141422239

IUPAC1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(Cc2cccc(-n3ccc(C(C)(C)C)n3)c2)C1
InChIInChI=1S/C19H28N4/c1-19(2,3)18-9-10-23(20-18)16-8-6-7-15(11-16)12-22-13-17(14-22)21(4)5/h6-11,17H,12-14H2,1-5H3
InChIKeyYMLYNNNJQSQYJW-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.92
Rot. Bonds4

About 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine

1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine (PubChem CID 141422239) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
PubChem CID141422239
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(Cc2cccc(-n3ccc(C(C)(C)C)n3)c2)C1
InChIInChI=1S/C19H28N4/c1-19(2,3)18-9-10-23(20-18)16-8-6-7-15(11-16)12-22-13-17(14-22)21(4)5/h6-11,17H,12-14H2,1-5H3
InChIKeyYMLYNNNJQSQYJW-UHFFFAOYSA-N
XLogP2.92
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-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-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
CID 141366794
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
CID 141134717
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
CID 141366767
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
CID 120909021
1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
CID 141134716
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine (CID 141422239) is 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine is CN(C)C1CN(Cc2cccc(-n3ccc(C(C)(C)C)n3)c2)C1.
What is the InChIKey of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine?
The InChIKey is YMLYNNNJQSQYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-19(2,3)18-9-10-23(20-18)16-8-6-7-15(11-16)12-22-13-17(14-22)21(4)5/h6-11,17H,12-14H2,1-5H3.
What are the key properties of 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine?
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 141422239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).