N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide

C27H33N5O2 — CID 31785045

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C27H33N5O2/c1-19-9-8-10-20(2)27(19)28-25(33)18-30-13-15-31(16-14-30)26(34)17-24-21(3)29-32(22(24)4)23-11-6-5-7-12-23/h5-12H,13-18H2,1-4H3,(H,28,33)
InChIKeyBMYJZWGKYBAZRH-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.43
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 31785045) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID31785045
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C27H33N5O2/c1-19-9-8-10-20(2)27(19)28-25(33)18-30-13-15-31(16-14-30)26(34)17-24-21(3)29-32(22(24)4)23-11-6-5-7-12-23/h5-12H,13-18H2,1-4H3,(H,28,33)
InChIKeyBMYJZWGKYBAZRH-UHFFFAOYSA-N
XLogP3.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 32648600
2-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 46390763
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 31785045) is N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is BMYJZWGKYBAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-19-9-8-10-20(2)27(19)28-25(33)18-30-13-15-31(16-14-30)26(34)17-24-21(3)29-32(22(24)4)23-11-6-5-7-12-23/h5-12H,13-18H2,1-4H3,(H,28,33).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31785045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).