[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C24H27N3O4 — CID 5018752

IUPAC[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C24H27N3O4/c1-16-4-6-20(17(2)14-16)27-21(15-19(25-27)22-7-5-18(3)31-22)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h4-7,14-15H,8-13H2,1-3H3
InChIKeyFXDWJSNHPQWLNF-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.04
Rot. Bonds3

About [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 5018752) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID5018752
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C24H27N3O4/c1-16-4-6-20(17(2)14-16)27-21(15-19(25-27)22-7-5-18(3)31-22)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h4-7,14-15H,8-13H2,1-3H3
InChIKeyFXDWJSNHPQWLNF-UHFFFAOYSA-N
XLogP4.04
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3884650
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 3983305
[3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3967291
1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 1053819
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 5137089
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3879205
(4-benzylpiperidin-1-yl)-[1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3683577
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 5233969

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 5018752) is [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCC3(CC2)OCCO3)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is FXDWJSNHPQWLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-4-6-20(17(2)14-16)27-21(15-19(25-27)22-7-5-18(3)31-22)23(28)26-10-8-24(9-11-26)29-12-13-30-24/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 421.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 5018752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).