1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine

C15H25N3O — CID 79920068

IUPAC1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H25N3O/c1-2-13(16)8-12-10-17-18(11-12)14-4-7-19-15(9-14)5-3-6-15/h10-11,13-14H,2-9,16H2,1H3
InChIKeyHRRNFQCTCKLLBE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine

1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 79920068) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
PubChem CID79920068
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H25N3O/c1-2-13(16)8-12-10-17-18(11-12)14-4-7-19-15(9-14)5-3-6-15/h10-11,13-14H,2-9,16H2,1H3
InChIKeyHRRNFQCTCKLLBE-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
4-(4-iodophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79909044

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine (CID 79920068) is 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1cnn(C2CCOC3(CCC3)C2)c1.
What is the InChIKey of 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is HRRNFQCTCKLLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-13(16)8-12-10-17-18(11-12)14-4-7-19-15(9-14)5-3-6-15/h10-11,13-14H,2-9,16H2,1H3.
What are the key properties of 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine?
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 79920068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).