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

C13H19ClN4S — CID 120845541

IUPAC(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESC[C@@H]1CN(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/t10-;/m1./s1
InChIKeyIENBVJIEIXPOJR-HNCPQSOCSA-N
MW298.84 g/mol
LogP2.35
Rot. Bonds3

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

(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120845541) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120845541
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESC[C@@H]1CN(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/t10-;/m1./s1
InChIKeyIENBVJIEIXPOJR-HNCPQSOCSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120845541) is (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride is C[C@@H]1CN(Cc2cn[nH]c2-c2ccsc2)CCN1.Cl.
What is the InChIKey of (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is IENBVJIEIXPOJR-HNCPQSOCSA-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/t10-;/m1./s1.
What are the key properties of (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride?
(3R)-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 (3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120845541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).