4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one

C10H15N5O2 — CID 115330862

IUPAC4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H15N5O2/c1-6-9(16)12-3-4-15(6)10(17)7-5-13-14(2)8(7)11/h5-6H,3-4,11H2,1-2H3,(H,12,16)
InChIKeyPLKYIROAUSCPJS-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.04
Rot. Bonds1

About 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one

4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one (PubChem CID 115330862) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
PubChem CID115330862
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H15N5O2/c1-6-9(16)12-3-4-15(6)10(17)7-5-13-14(2)8(7)11/h5-6H,3-4,11H2,1-2H3,(H,12,16)
InChIKeyPLKYIROAUSCPJS-UHFFFAOYSA-N
XLogP-1.04
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
CID 63596109
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-(1-aminoisoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 106771878
3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
CID 63607075
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-acetyl-3-methylpiperazin-2-one
CID 13190467
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 63600921
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-(2-amino-5-fluoro-3-nitrobenzoyl)-3-methylpiperazin-2-one
CID 107123162

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one (CID 115330862) is 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cnn(C)c1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is PLKYIROAUSCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-9(16)12-3-4-15(6)10(17)7-5-13-14(2)8(7)11/h5-6H,3-4,11H2,1-2H3,(H,12,16).
What are the key properties of 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one?
4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 237.26 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 115330862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).