4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one

C12H18N4O2 — CID 42138640

IUPAC4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCCn1ccc(C(=O)N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2/c1-4-15-7-5-9(14-15)10(17)16-8-6-13-11(18)12(16,2)3/h5,7H,4,6,8H2,1-3H3,(H,13,18)
InChIKeyNBTJMGJHRRMJEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.25
Rot. Bonds2

About 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one

4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 42138640) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID42138640
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCCn1ccc(C(=O)N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2/c1-4-15-7-5-9(14-15)10(17)16-8-6-13-11(18)12(16,2)3/h5,7H,4,6,8H2,1-3H3,(H,13,18)
InChIKeyNBTJMGJHRRMJEO-UHFFFAOYSA-N
XLogP0.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
ethyl 4-({[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
CID 778916
isobutyl 3-(piperidin-1-ylcarbonyl)-1H-pyrazole-1-carboxylate
CID 3243745
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (CID 42138640) is 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one is CCn1ccc(C(=O)N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is NBTJMGJHRRMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-15-7-5-9(14-15)10(17)16-8-6-13-11(18)12(16,2)3/h5,7H,4,6,8H2,1-3H3,(H,13,18).
What are the key properties of 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 42138640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).