(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H25N3O — CID 102812619

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCCc1nn(C)cc1C(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H25N3O/c1-3-13-12(10-18(2)17-13)14(16)11-5-8-19-15(9-11)6-4-7-15/h10-11,14H,3-9,16H2,1-2H3
InChIKeyBNWQIGQXZLYNOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.33
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 102812619) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID102812619
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCCc1nn(C)cc1C(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H25N3O/c1-3-13-12(10-18(2)17-13)14(16)11-5-8-19-15(9-11)6-4-7-15/h10-11,14H,3-9,16H2,1-2H3
InChIKeyBNWQIGQXZLYNOS-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
(3-ethyl-1-methylpyrazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115990432
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911247
(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 102804203
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169794
(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 102811812
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 102812619) is (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CCc1nn(C)cc1C(N)C1CCOC2(CCC2)C1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is BNWQIGQXZLYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13-12(10-18(2)17-13)14(16)11-5-8-19-15(9-11)6-4-7-15/h10-11,14H,3-9,16H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 102812619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).