[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

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Related Compounds

(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
CID 120837932
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120843259
2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120837052
[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 65243540
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
CID 120835285
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine 4,4-dioxide
CID 128704486

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).