N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine

C13H19N3S — CID 66351054

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
SMILESCCC(CC)n1ccc(CNc2ccsc2)n1
InChIInChI=1S/C13H19N3S/c1-3-13(4-2)16-7-5-11(15-16)9-14-12-6-8-17-10-12/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyVQHBNMXAVBZTLK-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.92
Rot. Bonds6

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine (PubChem CID 66351054) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
PubChem CID66351054
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
SMILESCCC(CC)n1ccc(CNc2ccsc2)n1
InChIInChI=1S/C13H19N3S/c1-3-13(4-2)16-7-5-11(15-16)9-14-12-6-8-17-10-12/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyVQHBNMXAVBZTLK-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-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

2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231
4-bromo-3-fluoro-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 65437901
2,6-dibromo-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800837
5-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799073
2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799329
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 80526622
1-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-2-amine
CID 65024614
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine (CID 66351054) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine is CCC(CC)n1ccc(CNc2ccsc2)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine?
The InChIKey is VQHBNMXAVBZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-13(4-2)16-7-5-11(15-16)9-14-12-6-8-17-10-12/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine has a molecular weight of 249.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 66351054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).