2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

C17H31N5O2 — CID 119037445

IUPAC2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccn(C)n2)C(CC)CN1CC(C)(C)O
InChIInChI=1S/C17H31N5O2/c1-6-13-11-22(16(23)18-15-8-9-20(5)19-15)14(7-2)10-21(13)12-17(3,4)24/h8-9,13-14,24H,6-7,10-12H2,1-5H3,(H,18,19,23)
InChIKeyMGIFWYLCDITGOM-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.90
Rot. Bonds5

About 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 119037445) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID119037445
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccn(C)n2)C(CC)CN1CC(C)(C)O
InChIInChI=1S/C17H31N5O2/c1-6-13-11-22(16(23)18-15-8-9-20(5)19-15)14(7-2)10-21(13)12-17(3,4)24/h8-9,13-14,24H,6-7,10-12H2,1-5H3,(H,18,19,23)
InChIKeyMGIFWYLCDITGOM-UHFFFAOYSA-N
XLogP1.90
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 119037445) is 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is CCC1CN(C(=O)Nc2ccn(C)n2)C(CC)CN1CC(C)(C)O.
What is the InChIKey of 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is MGIFWYLCDITGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-6-13-11-22(16(23)18-15-8-9-20(5)19-15)14(7-2)10-21(13)12-17(3,4)24/h8-9,13-14,24H,6-7,10-12H2,1-5H3,(H,18,19,23).
What are the key properties of 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-(2-hydroxy-2-methylpropyl)-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 119037445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).