2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide

C13H20N4O3 — CID 102562604

IUPAC2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide
SMILESCCCCc1cc(NC(=O)C2CCC(C(N)=O)O2)n[nH]1
InChIInChI=1S/C13H20N4O3/c1-2-3-4-8-7-11(17-16-8)15-13(19)10-6-5-9(20-10)12(14)18/h7,9-10H,2-6H2,1H3,(H2,14,18)(H2,15,16,17,19)
InChIKeyLWYGRZXMTBKEMQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.72
Rot. Bonds6

About 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide

2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide (PubChem CID 102562604) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide
PubChem CID102562604
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide
SMILESCCCCc1cc(NC(=O)C2CCC(C(N)=O)O2)n[nH]1
InChIInChI=1S/C13H20N4O3/c1-2-3-4-8-7-11(17-16-8)15-13(19)10-6-5-9(20-10)12(14)18/h7,9-10H,2-6H2,1H3,(H2,14,18)(H2,15,16,17,19)
InChIKeyLWYGRZXMTBKEMQ-UHFFFAOYSA-N
XLogP0.72
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
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3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 102780018
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 104617966
(2S)-N-(5-propyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104618262
N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104619555

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide?
The IUPAC name of 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide (CID 102562604) is 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide?
The canonical SMILES for 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide is CCCCc1cc(NC(=O)C2CCC(C(N)=O)O2)n[nH]1.
What is the InChIKey of 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide?
The InChIKey is LWYGRZXMTBKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-4-8-7-11(17-16-8)15-13(19)10-6-5-9(20-10)12(14)18/h7,9-10H,2-6H2,1H3,(H2,14,18)(H2,15,16,17,19).
What are the key properties of 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide?
2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-butyl-1H-pyrazol-3-yl)oxolane-2,5-dicarboxamide is sourced from PubChem (CID 102562604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).