[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone

C26H30ClN3O4 — CID 71784940

IUPAC[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)n(C)n2)c1
InChIInChI=1S/C26H30ClN3O4/c1-29-24(15-23(28-29)22-14-21(32-2)8-9-25(22)33-3)26(31)30-12-10-19(11-13-30)17-34-16-18-4-6-20(27)7-5-18/h4-9,14-15,19H,10-13,16-17H2,1-3H3
InChIKeyAZOZOPFSGVHKND-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.83
Rot. Bonds8

About [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone

[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 71784940) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID71784940
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC Name[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)n(C)n2)c1
InChIInChI=1S/C26H30ClN3O4/c1-29-24(15-23(28-29)22-14-21(32-2)8-9-25(22)33-3)26(31)30-12-10-19(11-13-30)17-34-16-18-4-6-20(27)7-5-18/h4-9,14-15,19H,10-13,16-17H2,1-3H3
InChIKeyAZOZOPFSGVHKND-UHFFFAOYSA-N
XLogP4.83
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclopropylsulfonylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121089087
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CID 90629806
[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 90631764
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162006
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560405
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[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632249
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255848
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
[7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-4-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone (CID 71784940) is [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCC(COCc4ccc(Cl)cc4)CC3)n(C)n2)c1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is AZOZOPFSGVHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-29-24(15-23(28-29)22-14-21(32-2)8-9-25(22)33-3)26(31)30-12-10-19(11-13-30)17-34-16-18-4-6-20(27)7-5-18/h4-9,14-15,19H,10-13,16-17H2,1-3H3.
What are the key properties of [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone?
[4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 484.00 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxymethyl]piperidin-1-yl]-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 71784940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).