[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone

C21H23N3O3 — CID 42761946

IUPAC[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-6-11-20(27-15)18-14-19(21(25)23-12-4-3-5-13-23)24(22-18)16-7-9-17(26-2)10-8-16/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyQAMFLHCVRCQGCJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.08
Rot. Bonds4

About [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone

[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42761946) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42761946
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-6-11-20(27-15)18-14-19(21(25)23-12-4-3-5-13-23)24(22-18)16-7-9-17(26-2)10-8-16/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyQAMFLHCVRCQGCJ-UHFFFAOYSA-N
XLogP4.08
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4032604
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3926868
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 7404675
(4-benzhydrylpiperazin-1-yl)-[1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 5144402
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42761965
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 3983305
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42758942

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone (CID 42761946) is [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is QAMFLHCVRCQGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-6-11-20(27-15)18-14-19(21(25)23-12-4-3-5-13-23)24(22-18)16-7-9-17(26-2)10-8-16/h6-11,14H,3-5,12-13H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone?
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 365.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42761946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).