(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C19H22N4O3 — CID 126425152

IUPAC(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1C[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)C2)OCC1=O
InChIInChI=1S/C19H22N4O3/c1-21-12-19(26-11-17(21)24)8-9-23(13-19)18(25)15-10-16(22(2)20-15)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m0/s1
InChIKeyCRUYEIMUUSANCF-IBGZPJMESA-N
MW354.41 g/mol
LogP1.16
Rot. Bonds2

About (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 126425152) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID126425152
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1C[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)C2)OCC1=O
InChIInChI=1S/C19H22N4O3/c1-21-12-19(26-11-17(21)24)8-9-23(13-19)18(25)15-10-16(22(2)20-15)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m0/s1
InChIKeyCRUYEIMUUSANCF-IBGZPJMESA-N
XLogP1.16
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 126425152) is (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CN1C[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)C2)OCC1=O.
What is the InChIKey of (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is CRUYEIMUUSANCF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O3/c1-21-12-19(26-11-17(21)24)8-9-23(13-19)18(25)15-10-16(22(2)20-15)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 354.41 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 126425152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).