4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one

C10H15N5O2 — CID 63600417

IUPAC4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15N5O2/c1-2-7-9(16)12-3-4-15(7)10(17)8-6(11)5-13-14-8/h5,7H,2-4,11H2,1H3,(H,12,16)(H,13,14)
InChIKeyKDPJOECHJIFZGM-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.66
Rot. Bonds2

About 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one

4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 63600417) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
PubChem CID63600417
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15N5O2/c1-2-7-9(16)12-3-4-15(7)10(17)8-6(11)5-13-14-8/h5,7H,2-4,11H2,1H3,(H,12,16)(H,13,14)
InChIKeyKDPJOECHJIFZGM-UHFFFAOYSA-N
XLogP-0.66
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
CID 63600884
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 66118459
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-ethyl-4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)piperazin-2-one
CID 81249127

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one (CID 63600417) is 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is KDPJOECHJIFZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-7-9(16)12-3-4-15(7)10(17)8-6(11)5-13-14-8/h5,7H,2-4,11H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one?
4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).