(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride

C9H16Cl2N4O — CID 126965683

IUPAC(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1nccc1C(=O)N1CCNCC1
InChIInChI=1S/C9H14N4O.2ClH/c1-12-8(2-3-11-12)9(14)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H
InChIKeyGKPJHEWCVCWNJL-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.31
Rot. Bonds1

About (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride

(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 126965683) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
PubChem CID126965683
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1nccc1C(=O)N1CCNCC1
InChIInChI=1S/C9H14N4O.2ClH/c1-12-8(2-3-11-12)9(14)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H
InChIKeyGKPJHEWCVCWNJL-UHFFFAOYSA-N
XLogP0.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone
CID 116559476
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 28788625
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride (CID 126965683) is (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride is Cl.Cl.Cn1nccc1C(=O)N1CCNCC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is GKPJHEWCVCWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c1-12-8(2-3-11-12)9(14)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H.
What are the key properties of (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride?
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 126965683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).