3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride

C13H19ClN4S — CID 120840165

IUPAC3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1.Cl
InChIInChI=1S/C13H18N4S.ClH/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11;/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16);1H
InChIKeyIENBVJIEIXPOJR-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.35
Rot. Bonds3

About 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride

3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120840165) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120840165
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1.Cl
InChIInChI=1S/C13H18N4S.ClH/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11;/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16);1H
InChIKeyIENBVJIEIXPOJR-UHFFFAOYSA-N
XLogP2.35
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120845541
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837427
4-[(2,2-dimethylazetidin-1-yl)methyl]-5-thiophen-3-yl-1H-pyrazole
CID 167761659
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 130644711
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120844166
7-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 166288155
N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 167932124
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120840165) is 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride is CC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1.Cl.
What is the InChIKey of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is IENBVJIEIXPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S.ClH/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11;/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16);1H.
What are the key properties of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120840165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).