[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H21ClN4S — CID 120837708

IUPAC[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(CN3CCC(CN)C3)s2)cn1
InChIInChI=1S/C14H20N4S.ClH/c1-17-9-12(7-16-17)14-3-2-13(19-14)10-18-5-4-11(6-15)8-18;/h2-3,7,9,11H,4-6,8,10,15H2,1H3;1H
InChIKeyRUAPYOISJFKQNF-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.35
Rot. Bonds4

About [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120837708) has the molecular formula C14H21ClN4S and a molecular weight of 312.87 g/mol. Its IUPAC name is [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120837708
Molecular FormulaC14H21ClN4S
Molecular Weight312.87 g/mol
Exact Mass312.12
IUPAC Name[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(CN3CCC(CN)C3)s2)cn1
InChIInChI=1S/C14H20N4S.ClH/c1-17-9-12(7-16-17)14-3-2-13(19-14)10-18-5-4-11(6-15)8-18;/h2-3,7,9,11H,4-6,8,10,15H2,1H3;1H
InChIKeyRUAPYOISJFKQNF-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120837708) is [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cl.Cn1cc(-c2ccc(CN3CCC(CN)C3)s2)cn1.
What is the InChIKey of [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is RUAPYOISJFKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S.ClH/c1-17-9-12(7-16-17)14-3-2-13(19-14)10-18-5-4-11(6-15)8-18;/h2-3,7,9,11H,4-6,8,10,15H2,1H3;1H.
What are the key properties of [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120837708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).