1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C13H19N3S — CID 105154076

IUPAC1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1ccsc1
InChIInChI=1S/C13H19N3S/c1-9-12(10(2)16(3)15-9)4-5-13(14)11-6-7-17-8-11/h6-8,13H,4-5,14H2,1-3H3
InChIKeyQKRKWHZSPVJNHZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.73
Rot. Bonds4

About 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105154076) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105154076
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1ccsc1
InChIInChI=1S/C13H19N3S/c1-9-12(10(2)16(3)15-9)4-5-13(14)11-6-7-17-8-11/h6-8,13H,4-5,14H2,1-3H3
InChIKeyQKRKWHZSPVJNHZ-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)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

1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105098522
1-(1-ethylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109199
1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105146531
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105148921
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
[1-(furan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105305907

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105154076) is 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCC(N)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is QKRKWHZSPVJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-12(10(2)16(3)15-9)4-5-13(14)11-6-7-17-8-11/h6-8,13H,4-5,14H2,1-3H3.
What are the key properties of 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105154076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).