1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C17H20N4O2 — CID 134810617

IUPAC1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCN(Cc3ccn[nH]3)C2)N1Cc1ccccc1
InChIInChI=1S/C17H20N4O2/c22-16-21(10-14-4-2-1-3-5-14)17(13-23-16)7-9-20(12-17)11-15-6-8-18-19-15/h1-6,8H,7,9-13H2,(H,18,19)
InChIKeyUJNIVTLVMITYLR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.01
Rot. Bonds4

About 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 134810617) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID134810617
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCN(Cc3ccn[nH]3)C2)N1Cc1ccccc1
InChIInChI=1S/C17H20N4O2/c22-16-21(10-14-4-2-1-3-5-14)17(13-23-16)7-9-20(12-17)11-15-6-8-18-19-15/h1-6,8H,7,9-13H2,(H,18,19)
InChIKeyUJNIVTLVMITYLR-UHFFFAOYSA-N
XLogP2.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 115067200
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 141031204
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
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(4aR,7aR)-4-benzyl-6-(1H-pyrazol-5-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110112078
4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
CID 122140252
2-[(3-fluorophenyl)methyl]-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131647798
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 134810617) is 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1OCC2(CCN(Cc3ccn[nH]3)C2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is UJNIVTLVMITYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16-21(10-14-4-2-1-3-5-14)17(13-23-16)7-9-20(12-17)11-15-6-8-18-19-15/h1-6,8H,7,9-13H2,(H,18,19).
What are the key properties of 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 134810617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).