[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C19H26N4O3 — CID 42759083

IUPAC[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)nn2C)CC1
InChIInChI=1S/C19H26N4O3/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-21(17)2)15-7-6-14(25-3)12-18(15)26-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFCFSSZHMDXRQJV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.88
Rot. Bonds5

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

[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42759083) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42759083
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)nn2C)CC1
InChIInChI=1S/C19H26N4O3/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-21(17)2)15-7-6-14(25-3)12-18(15)26-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFCFSSZHMDXRQJV-UHFFFAOYSA-N
XLogP1.88
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759088
[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4555036
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42759085
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342901
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
(4-cyclopropylsulfonylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121089087
(4-benzylpiperazin-1-yl)-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]methanone
CID 4276918
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346146
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339504
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42759083) is [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)nn2C)CC1.
What is the InChIKey of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FCFSSZHMDXRQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-22-8-10-23(11-9-22)19(24)17-13-16(20-21(17)2)15-7-6-14(25-3)12-18(15)26-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42759083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).