(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C14H19N7O2 — CID 146043386

IUPAC(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1
InChIInChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyFCQAOZDJGJSQKW-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.42
Rot. Bonds2

About (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 146043386) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID146043386
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1
InChIInChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyFCQAOZDJGJSQKW-UHFFFAOYSA-N
XLogP0.42
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 146045100
[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146038738
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146045778
ethyl (3aS,4S,5S,7aR)-5-methyl-2-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 155508784
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146042822
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 170512709
[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 164688071
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 169414925
[(1R,2S,8R,9S)-8-[(dimethylamino)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone;formic acid
CID 171338655
N-[(3S,7R,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 155502399
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 146043386) is (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is CC1CC2(CCN(C(=O)c3cc(-n4cnnn4)n[nH]3)CC2)CO1.
What is the InChIKey of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is FCQAOZDJGJSQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-10-7-14(8-23-10)2-4-20(5-3-14)13(22)11-6-12(17-16-11)21-9-15-18-19-21/h6,9-10H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 146043386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).