[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C26H25ClN4O3 — CID 42761965

IUPAC[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H25ClN4O3/c1-18-10-11-24(34-18)21-17-23(31(28-21)20-7-5-6-19(27)16-20)26(32)30-14-12-29(13-15-30)22-8-3-4-9-25(22)33-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyHRGQLUJSTQGAPI-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.07
Rot. Bonds5

About [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 42761965) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID42761965
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H25ClN4O3/c1-18-10-11-24(34-18)21-17-23(31(28-21)20-7-5-6-19(27)16-20)26(32)30-14-12-29(13-15-30)22-8-3-4-9-25(22)33-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyHRGQLUJSTQGAPI-UHFFFAOYSA-N
XLogP5.07
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3926868
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499175
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499176
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3907303
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3297347
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 4214721
[3-(2-chlorophenyl)-1-(3-chlorophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42662575
[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

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 42761965) is [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nn2-c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HRGQLUJSTQGAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-18-10-11-24(34-18)21-17-23(31(28-21)20-7-5-6-19(27)16-20)26(32)30-14-12-29(13-15-30)22-8-3-4-9-25(22)33-2/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 476.96 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42761965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).