(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C19H24N4O — CID 138054999

IUPAC(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC2(CCN2Cc2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-14-17(15(2)21(3)20-14)18(24)22-12-19(13-22)9-10-23(19)11-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyCBFUROSCQAKKMY-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.14
Rot. Bonds3

About (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 138054999) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID138054999
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC2(CCN2Cc2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-14-17(15(2)21(3)20-14)18(24)22-12-19(13-22)9-10-23(19)11-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyCBFUROSCQAKKMY-UHFFFAOYSA-N
XLogP2.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 138054999) is (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC2(CCN2Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is CBFUROSCQAKKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-17(15(2)21(3)20-14)18(24)22-12-19(13-22)9-10-23(19)11-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3.
What are the key properties of (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 138054999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).