[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone

C22H24N4O3 — CID 119402162

IUPAC[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCNCC2)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-8-9-20(29-2)18(14-17)21-19(22(27)25-12-10-23-11-13-25)15-26(24-21)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3
InChIKeyKKINYNUGYPOTFN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.60
Rot. Bonds5

About [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone

[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 119402162) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID119402162
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCNCC2)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-8-9-20(29-2)18(14-17)21-19(22(27)25-12-10-23-11-13-25)15-26(24-21)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3
InChIKeyKKINYNUGYPOTFN-UHFFFAOYSA-N
XLogP2.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 55509279
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119417117
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 119417182
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38320860
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone (CID 119402162) is [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCNCC2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is KKINYNUGYPOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-17-8-9-20(29-2)18(14-17)21-19(22(27)25-12-10-23-11-13-25)15-26(24-21)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone?
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 392.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119402162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).