7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

C15H25N3O — CID 131652137

IUPAC7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)14-6-15(19-10-14)4-5-18(11-15)9-13-7-16-17(3)8-13/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyODYKVAIZCSTCFV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds3

About 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 131652137) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID131652137
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1COC2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C15H25N3O/c1-12(2)14-6-15(19-10-14)4-5-18(11-15)9-13-7-16-17(3)8-13/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyODYKVAIZCSTCFV-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (CID 131652137) is 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is CC(C)C1COC2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is ODYKVAIZCSTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)14-6-15(19-10-14)4-5-18(11-15)9-13-7-16-17(3)8-13/h7-8,12,14H,4-6,9-11H2,1-3H3.
What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 263.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131652137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).