1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one

C16H24N2O2 — CID 102900615

IUPAC1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C16H24N2O2/c1-2-15(19)13-10-17-18(11-13)12-14-6-9-16(20-14)7-4-3-5-8-16/h10-11,14H,2-9,12H2,1H3
InChIKeyIMGQVBOWKHAPOW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one (PubChem CID 102900615) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
PubChem CID102900615
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C16H24N2O2/c1-2-15(19)13-10-17-18(11-13)12-14-6-9-16(20-14)7-4-3-5-8-16/h10-11,14H,2-9,12H2,1H3
InChIKeyIMGQVBOWKHAPOW-UHFFFAOYSA-N
XLogP3.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898692
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 102900643
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole-4-carboxylate
CID 102846929
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 102901212
1-methyl-4-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylsulfonyl]pyrazole
CID 125461927
2,2,2-trifluoro-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]ethanone
CID 102900592
4-(1-chloropropyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole
CID 102900177
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
CID 102900109

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one (CID 102900615) is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one is CCC(=O)c1cnn(CC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one?
The InChIKey is IMGQVBOWKHAPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15(19)13-10-17-18(11-13)12-14-6-9-16(20-14)7-4-3-5-8-16/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one?
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 102900615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).