2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H26N4O3 — CID 72851888

IUPAC2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C17H26N4O3/c1-13(22)11-21-12-17(5-3-15(21)23)6-9-20(10-7-17)16(24)14-4-8-18-19(14)2/h4,8,13,22H,3,5-7,9-12H2,1-2H3
InChIKeyCVESOXBAFFFMFP-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.65
Rot. Bonds3

About 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72851888) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72851888
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1ccnn1C)CC2
InChIInChI=1S/C17H26N4O3/c1-13(22)11-21-12-17(5-3-15(21)23)6-9-20(10-7-17)16(24)14-4-8-18-19(14)2/h4,8,13,22H,3,5-7,9-12H2,1-2H3
InChIKeyCVESOXBAFFFMFP-UHFFFAOYSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72851888) is 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(C(=O)c1ccnn1C)CC2.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CVESOXBAFFFMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(22)11-21-12-17(5-3-15(21)23)6-9-20(10-7-17)16(24)14-4-8-18-19(14)2/h4,8,13,22H,3,5-7,9-12H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72851888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).