7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

C15H25N3O — CID 110197981

IUPAC7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCn1cc(CN2CCC3(CCC3OC)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-18-12-13(10-16-18)11-17-8-6-15(7-9-17)5-4-14(15)19-2/h10,12,14H,3-9,11H2,1-2H3
InChIKeySGRCQSNUAPYBQP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.29
Rot. Bonds4

About 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (PubChem CID 110197981) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
PubChem CID110197981
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCCn1cc(CN2CCC3(CCC3OC)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-3-18-12-13(10-16-18)11-17-8-6-15(7-9-17)5-4-14(15)19-2/h10,12,14H,3-9,11H2,1-2H3
InChIKeySGRCQSNUAPYBQP-UHFFFAOYSA-N
XLogP2.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (CID 110197981) is 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is CCn1cc(CN2CCC3(CCC3OC)CC2)cn1.
What is the InChIKey of 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is SGRCQSNUAPYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18-12-13(10-16-18)11-17-8-6-15(7-9-17)5-4-14(15)19-2/h10,12,14H,3-9,11H2,1-2H3.
What are the key properties of 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 263.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 110197981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).