1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

C16H26N4O2 — CID 70729133

IUPAC1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3
InChIKeyJYXIZQOEPQKYJA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds5

About 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 70729133) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID70729133
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O
InChIInChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3
InChIKeyJYXIZQOEPQKYJA-UHFFFAOYSA-N
XLogP1.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

LmCPB-IN-1
CID 145974244
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
(3,5-Dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 5307799
3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
CID 162672197
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
3-(tert-butyl)-1-methyl-N-morpholino-1H-pyrazole-5-carboxamide
CID 2811170
ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (CID 70729133) is 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is CCCCN1CCN(C(=O)c2cc(C(C)C)nn2C)CC1=O.
What is the InChIKey of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is JYXIZQOEPQKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-6-7-19-8-9-20(11-15(19)21)16(22)14-10-13(12(2)3)17-18(14)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 70729133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).