(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

C15H25N3O — CID 97485296

IUPAC(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CO[C@@]2(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/t14-,15-/m0/s1
InChIKeyODYKVAIZCSTCFV-GJZGRUSLSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds3

About (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane

(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97485296) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97485296
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)[C@@H]1CO[C@@]2(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/t14-,15-/m0/s1
InChIKeyODYKVAIZCSTCFV-GJZGRUSLSA-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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Related Compounds

(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777995
(3S,5S)-7-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521701
(3R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477913
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
(3S)-3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450663
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131641032
3-propan-2-yl-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134070216
N-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076704
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155835616

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane (CID 97485296) is (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is CC(C)[C@@H]1CO[C@@]2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is ODYKVAIZCSTCFV-GJZGRUSLSA-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/t14-,15-/m0/s1.
What are the key properties of (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
(3R,5R)-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 (3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97485296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).