(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride

C10H17ClN4O — CID 119471534

IUPAC(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
SMILESCc1[nH]ncc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-7-5-11-3-4-14(7)10(15)9-6-12-13-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,12,13);1H
InChIKeyMSCSGNDLOKVPBZ-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.57
Rot. Bonds1

About (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride

(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride (PubChem CID 119471534) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
PubChem CID119471534
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
SMILESCc1[nH]ncc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-7-5-11-3-4-14(7)10(15)9-6-12-13-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,12,13);1H
InChIKeyMSCSGNDLOKVPBZ-UHFFFAOYSA-N
XLogP0.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 120569646
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755254
(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472417
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 119469998
(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone
CID 167873117
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride (CID 119471534) is (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride is Cc1[nH]ncc1C(=O)N1CCNCC1C.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride?
The InChIKey is MSCSGNDLOKVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-7-5-11-3-4-14(7)10(15)9-6-12-13-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,12,13);1H.
What are the key properties of (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride?
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119471534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).