2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C28H33N5O2 — CID 31428063

IUPAC2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C28H33N5O2/c1-21-10-11-24(22(2)18-21)27-25(19-33(29-27)23-8-4-3-5-9-23)28(35)32-16-14-30(15-17-32)20-26(34)31-12-6-7-13-31/h3-5,8-11,18-19H,6-7,12-17,20H2,1-2H3
InChIKeyZZISSQLUJLSOSA-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 31428063) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID31428063
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C28H33N5O2/c1-21-10-11-24(22(2)18-21)27-25(19-33(29-27)23-8-4-3-5-9-23)28(35)32-16-14-30(15-17-32)20-26(34)31-12-6-7-13-31/h3-5,8-11,18-19H,6-7,12-17,20H2,1-2H3
InChIKeyZZISSQLUJLSOSA-UHFFFAOYSA-N
XLogP3.54
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
2-[4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42574776
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 8852508
N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 17404093
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119629823
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514
cyanomethyl 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7465547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 31428063) is 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZZISSQLUJLSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21-10-11-24(22(2)18-21)27-25(19-33(29-27)23-8-4-3-5-9-23)28(35)32-16-14-30(15-17-32)20-26(34)31-12-6-7-13-31/h3-5,8-11,18-19H,6-7,12-17,20H2,1-2H3.
What are the key properties of 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 471.61 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 31428063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).