N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C15H17N3S — CID 114911343

IUPACN-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1-c1cc2ccccc2s1
InChIInChI=1S/C15H17N3S/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3,(H,17,18)
InChIKeySPLOFSSYVHYLPE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.79
Rot. Bonds4

About N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 114911343) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID114911343
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1-c1cc2ccccc2s1
InChIInChI=1S/C15H17N3S/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3,(H,17,18)
InChIKeySPLOFSSYVHYLPE-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-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-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 114911177
N-[[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287899
N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 114910432
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 106759036
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 114911343) is N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn[nH]c1-c1cc2ccccc2s1.
What is the InChIKey of N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is SPLOFSSYVHYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10(2)16-8-12-9-17-18-15(12)14-7-11-5-3-4-6-13(11)19-14/h3-7,9-10,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114911343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).