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

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

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Related Compounds

(3S,3aR,6aS)-N,N-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 97411249
(3S,3aR,6aS)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 98777277
7-[(1-Methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155856444
7-Ethoxy-2-[(1-methylpyrazol-4-yl)methyl]-2-azabicyclo[2.2.1]heptane
CID 134073339
3-Methoxy-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134078389
1-[[(2R)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole
CID 59186188
1-(Oxolan-2-ylmethyl)-4-propan-2-ylpyrazole
CID 59186312
1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole
CID 59186494
2-(4-Methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 45168911
1-(1-ethylpyrazol-4-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 80172268
N-[(2-methyloxolan-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 80183746
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371262

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).