N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C17H28N4O2 — CID 84592780

IUPACN-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCCc1c(NC(=O)N2CCOC3(CCC3)C2)cnn1CC(C)C
InChIInChI=1S/C17H28N4O2/c1-4-15-14(10-18-21(15)11-13(2)3)19-16(22)20-8-9-23-17(12-20)6-5-7-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,22)
InChIKeyHJBMYWQFPOTRDP-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.89
Rot. Bonds4

About N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 84592780) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID84592780
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCCc1c(NC(=O)N2CCOC3(CCC3)C2)cnn1CC(C)C
InChIInChI=1S/C17H28N4O2/c1-4-15-14(10-18-21(15)11-13(2)3)19-16(22)20-8-9-23-17(12-20)6-5-7-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,22)
InChIKeyHJBMYWQFPOTRDP-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 84592780) is N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is CCc1c(NC(=O)N2CCOC3(CCC3)C2)cnn1CC(C)C.
What is the InChIKey of N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is HJBMYWQFPOTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-15-14(10-18-21(15)11-13(2)3)19-16(22)20-8-9-23-17(12-20)6-5-7-17/h10,13H,4-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 84592780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).