[(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

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713
1-methyl-N-[1-(3-sulfanylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 177680747
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435
1-methyl-N,N-dipropylpyrazole-4-carboxamide
CID 51073390

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).