N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

C15H23N3S — CID 105137535

IUPACN-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H23N3S/c1-5-7-16-14(9-13-6-8-19-10-13)15-11(2)17-18(4)12(15)3/h6,8,10,14,16H,5,7,9H2,1-4H3
InChIKeyTVKVFISRXQLVNQ-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.38
Rot. Bonds6

About N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105137535) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105137535
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H23N3S/c1-5-7-16-14(9-13-6-8-19-10-13)15-11(2)17-18(4)12(15)3/h6,8,10,14,16H,5,7,9H2,1-4H3
InChIKeyTVKVFISRXQLVNQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-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

N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105137555
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105157390
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665

Frequently Asked Questions

What is the IUPAC name of N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 105137535) is N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is TVKVFISRXQLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-7-16-14(9-13-6-8-19-10-13)15-11(2)17-18(4)12(15)3/h6,8,10,14,16H,5,7,9H2,1-4H3.
What are the key properties of N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105137535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).