[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride

C10H18Cl2N4O — CID 170913622

IUPAC[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-8-5-11-3-4-14(8)10(15)9-6-12-13(2)7-9;;/h6-8,11H,3-5H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyOHHSJNZRVPQBID-JZGIKJSDSA-N
MW281.19 g/mol
LogP0.70
Rot. Bonds1

About [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride

[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride (PubChem CID 170913622) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride
PubChem CID170913622
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-8-5-11-3-4-14(8)10(15)9-6-12-13(2)7-9;;/h6-8,11H,3-5H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyOHHSJNZRVPQBID-JZGIKJSDSA-N
XLogP0.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride (CID 170913622) is [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride is C[C@H]1CNCCN1C(=O)c1cnn(C)c1.Cl.Cl.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride?
The InChIKey is OHHSJNZRVPQBID-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-8-5-11-3-4-14(8)10(15)9-6-12-13(2)7-9;;/h6-8,11H,3-5H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride?
[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 170913622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).