(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C10H18N4 — CID 103885638

IUPAC(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESC[C@H]1CN(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C10H18N4/c1-9-6-14(4-3-11-9)8-10-5-12-13(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t9-/m0/s1
InChIKeyWKZJWRFLSHELLB-VIFPVBQESA-N
MW194.28 g/mol
LogP0.21
Rot. Bonds2

About (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 103885638) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID103885638
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESC[C@H]1CN(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C10H18N4/c1-9-6-14(4-3-11-9)8-10-5-12-13(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t9-/m0/s1
InChIKeyWKZJWRFLSHELLB-VIFPVBQESA-N
XLogP0.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine 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

3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 103885638) is (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is C[C@H]1CN(Cc2cnn(C)c2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is WKZJWRFLSHELLB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4/c1-9-6-14(4-3-11-9)8-10-5-12-13(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 103885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).