(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone

C18H28N4O2 — CID 136559170

IUPAC(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone
SMILESCc1cn(C2CCOCC2)nc1C(=O)N1CCC12CCN(C)CC2
InChIInChI=1S/C18H28N4O2/c1-14-13-22(15-3-11-24-12-4-15)19-16(14)17(23)21-10-7-18(21)5-8-20(2)9-6-18/h13,15H,3-12H2,1-2H3
InChIKeyXHOPELPTVBLOMU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.85
Rot. Bonds2

About (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone

(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone (PubChem CID 136559170) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone
PubChem CID136559170
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone
SMILESCc1cn(C2CCOCC2)nc1C(=O)N1CCC12CCN(C)CC2
InChIInChI=1S/C18H28N4O2/c1-14-13-22(15-3-11-24-12-4-15)19-16(14)17(23)21-10-7-18(21)5-8-20(2)9-6-18/h13,15H,3-12H2,1-2H3
InChIKeyXHOPELPTVBLOMU-UHFFFAOYSA-N
XLogP1.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide
CID 139021597
2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 166296061
3-iodo-4-methyl-1-(oxan-4-yl)pyrazole
CID 79787692
4-nitro-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 90424390
5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 118974270
4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
CID 177246443
4-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344331
3-iodo-4-nitro-1-(oxan-4-yl)pyrazole
CID 122684246
[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 559877
ethyl 1-cyclopentyl-3-morpholin-4-ylpyrazole-4-carboxylate
CID 137355677

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone?
The IUPAC name of (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone (CID 136559170) is (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone?
The canonical SMILES for (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone is Cc1cn(C2CCOCC2)nc1C(=O)N1CCC12CCN(C)CC2.
What is the InChIKey of (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone?
The InChIKey is XHOPELPTVBLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-13-22(15-3-11-24-12-4-15)19-16(14)17(23)21-10-7-18(21)5-8-20(2)9-6-18/h13,15H,3-12H2,1-2H3.
What are the key properties of (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone?
(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 136559170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).