1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one

C10H14N4O2 — CID 64694556

IUPAC1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
SMILESCc1[nH]ncc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-7-8(5-11-12-7)10(16)14-4-3-13(2)9(15)6-14/h5H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyMPGBEAKGJXWFNB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.37
Rot. Bonds1

About 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one

1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one (PubChem CID 64694556) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
PubChem CID64694556
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
SMILESCc1[nH]ncc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-7-8(5-11-12-7)10(16)14-4-3-13(2)9(15)6-14/h5H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyMPGBEAKGJXWFNB-UHFFFAOYSA-N
XLogP-0.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
CID 64682126
(5-methyl-1H-pyrazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63997457
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775463
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one (CID 64694556) is 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one is Cc1[nH]ncc1C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one?
The InChIKey is MPGBEAKGJXWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-8(5-11-12-7)10(16)14-4-3-13(2)9(15)6-14/h5H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one?
1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 64694556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).