4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide

C24H28N6O2 — CID 90507570

IUPAC4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-17-23(18(2)30(27-17)21-6-4-3-5-7-21)29-14-12-28(13-15-29)16-22(31)26-20-10-8-19(9-11-20)24(25)32/h3-11H,12-16H2,1-2H3,(H2,25,32)(H,26,31)
InChIKeyRTGZQRWXNLXSNU-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.35
Rot. Bonds6

About 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 90507570) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID90507570
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-17-23(18(2)30(27-17)21-6-4-3-5-7-21)29-14-12-28(13-15-29)16-22(31)26-20-10-8-19(9-11-20)24(25)32/h3-11H,12-16H2,1-2H3,(H2,25,32)(H,26,31)
InChIKeyRTGZQRWXNLXSNU-UHFFFAOYSA-N
XLogP2.35
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90508037
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
ethyl 4-[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90507505
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90507559
[2-(4-carbamoylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436761
N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
CID 90507044
2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
CID 90506606
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 90507580

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide (CID 90507570) is 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide is Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is RTGZQRWXNLXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-23(18(2)30(27-17)21-6-4-3-5-7-21)29-14-12-28(13-15-29)16-22(31)26-20-10-8-19(9-11-20)24(25)32/h3-11H,12-16H2,1-2H3,(H2,25,32)(H,26,31).
What are the key properties of 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 432.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 90507570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).