4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide

C17H27N5O2 — CID 72899029

IUPAC4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C3CCCC3)C(=O)C2)n(C(C)C)n1
InChIInChI=1S/C17H27N5O2/c1-12(2)22-15(10-13(3)19-22)18-17(24)20-8-9-21(16(23)11-20)14-6-4-5-7-14/h10,12,14H,4-9,11H2,1-3H3,(H,18,24)
InChIKeyGNIWBIXRBQDWGA-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.39
Rot. Bonds3

About 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide

4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 72899029) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
PubChem CID72899029
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C3CCCC3)C(=O)C2)n(C(C)C)n1
InChIInChI=1S/C17H27N5O2/c1-12(2)22-15(10-13(3)19-22)18-17(24)20-8-9-21(16(23)11-20)14-6-4-5-7-14/h10,12,14H,4-9,11H2,1-3H3,(H,18,24)
InChIKeyGNIWBIXRBQDWGA-UHFFFAOYSA-N
XLogP2.39
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 51080220
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 51080221
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 56802070
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
CID 71877041
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide (CID 72899029) is 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C3CCCC3)C(=O)C2)n(C(C)C)n1.
What is the InChIKey of 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is GNIWBIXRBQDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(2)22-15(10-13(3)19-22)18-17(24)20-8-9-21(16(23)11-20)14-6-4-5-7-14/h10,12,14H,4-9,11H2,1-3H3,(H,18,24).
What are the key properties of 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 72899029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).