9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C17H26N4O2 — CID 56895614

IUPAC9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CC2(CCCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O
InChIInChI=1S/C17H26N4O2/c1-19-12-17(23-16(19)22)6-3-8-21(9-7-17)11-14-10-18-20(2)15(14)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeyDSWSEOJEEBNGIG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds3

About 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56895614) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56895614
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CC2(CCCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O
InChIInChI=1S/C17H26N4O2/c1-19-12-17(23-16(19)22)6-3-8-21(9-7-17)11-14-10-18-20(2)15(14)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeyDSWSEOJEEBNGIG-UHFFFAOYSA-N
XLogP2.10
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56895614) is 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CN1CC2(CCCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O.
What is the InChIKey of 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DSWSEOJEEBNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-12-17(23-16(19)22)6-3-8-21(9-7-17)11-14-10-18-20(2)15(14)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56895614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).