3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

C16H25N3O2 — CID 56880681

IUPAC3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC3(CCOCC3)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-12-17-19(13-14)7-2-15(20)18-8-3-16(4-9-18)5-10-21-11-6-16/h12-13H,2-11H2,1H3
InChIKeyQQWAPRACSUCJGW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (PubChem CID 56880681) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
PubChem CID56880681
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC3(CCOCC3)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-12-17-19(13-14)7-2-15(20)18-8-3-16(4-9-18)5-10-21-11-6-16/h12-13H,2-11H2,1H3
InChIKeyQQWAPRACSUCJGW-UHFFFAOYSA-N
XLogP2.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methyloxan-4-yl)methanone
CID 53583610
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
3-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56863973
2-(3-methoxypropyl)-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922330
[(3S*,5R*)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72903893
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
1-[4,4-Difluoro-3-(methoxymethyl)piperidin-1-YL]-3-(4-methyl-1H-pyrazol-1-YL)propan-1-one
CID 124051292
1-{3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidin-1-YL}-3-(4-methyl-1H-pyrazol-1-YL)propan-1-one
CID 124051192
4-{1-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-4-fluoropiperidine-4-carbonyl}morpholine
CID 132443376
ethyl 4-(2-methoxyethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylate
CID 25382604
3-[(1-allyl-1H-pyrazol-4-yl)methyl]-9-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecane
CID 56898665

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (CID 56880681) is 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is Cc1cnn(CCC(=O)N2CCC3(CCOCC3)CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The InChIKey is QQWAPRACSUCJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-12-17-19(13-14)7-2-15(20)18-8-3-16(4-9-18)5-10-21-11-6-16/h12-13H,2-11H2,1H3.
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is sourced from PubChem (CID 56880681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).