1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride

C13H19ClN4S — CID 120833629

IUPAC1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(CN3CCNCC3)s2)cn1
InChIInChI=1S/C13H18N4S.ClH/c1-16-9-11(8-15-16)13-3-2-12(18-13)10-17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7,10H2,1H3;1H
InChIKeyKYYSUIBYTSEEMZ-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.98
Rot. Bonds3

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

1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride (PubChem CID 120833629) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
PubChem CID120833629
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(CN3CCNCC3)s2)cn1
InChIInChI=1S/C13H18N4S.ClH/c1-16-9-11(8-15-16)13-3-2-12(18-13)10-17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7,10H2,1H3;1H
InChIKeyKYYSUIBYTSEEMZ-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride 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-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120837052
(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837708
N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
CID 120837932
2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120843259
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
CID 120835285
1-methyl-6-[4-[5-(piperazin-1-ylmethyl)thiophen-2-yl]phenyl]benzotriazole
CID 167903197
5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342184
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833623
1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 61335164

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride (CID 120833629) is 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride is Cl.Cn1cc(-c2ccc(CN3CCNCC3)s2)cn1.
What is the InChIKey of 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The InChIKey is KYYSUIBYTSEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S.ClH/c1-16-9-11(8-15-16)13-3-2-12(18-13)10-17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7,10H2,1H3;1H.
What are the key properties of 1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride?
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 1.98, 3 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]piperazine;hydrochloride is sourced from PubChem (CID 120833629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).