[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C27H34N4O4 — CID 43058829

IUPAC[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C27H34N4O4/c1-6-23-22(17-28-31(23)21-9-7-8-19(2)16-21)27(32)30-14-12-29(13-15-30)18-20-10-11-24(33-3)26(35-5)25(20)34-4/h7-11,16-17H,6,12-15,18H2,1-5H3
InChIKeyMRRWWHPTPKHAMK-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.73
Rot. Bonds8

About [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 43058829) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID43058829
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C27H34N4O4/c1-6-23-22(17-28-31(23)21-9-7-8-19(2)16-21)27(32)30-14-12-29(13-15-30)18-20-10-11-24(33-3)26(35-5)25(20)34-4/h7-11,16-17H,6,12-15,18H2,1-5H3
InChIKeyMRRWWHPTPKHAMK-UHFFFAOYSA-N
XLogP3.73
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 38093464
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46628525
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
(2-methylfuran-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46655883
(5-chloro-2-hydroxyphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31606232
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110885784
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone
CID 39694464
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 43058829) is [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cnn1-c1cccc(C)c1.
What is the InChIKey of [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is MRRWWHPTPKHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-6-23-22(17-28-31(23)21-9-7-8-19(2)16-21)27(32)30-14-12-29(13-15-30)18-20-10-11-24(33-3)26(35-5)25(20)34-4/h7-11,16-17H,6,12-15,18H2,1-5H3.
What are the key properties of [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 478.59 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43058829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).