2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide

C26H28ClN5O — CID 55783699

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide
SMILESCc1cc(C)n(CC(C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H28ClN5O/c1-18(16-31-20(3)13-19(2)29-31)15-28-25(33)14-22-17-32(24-7-5-4-6-8-24)30-26(22)21-9-11-23(27)12-10-21/h4-13,17-18H,14-16H2,1-3H3,(H,28,33)
InChIKeyHENQNTOBSMFMAB-UHFFFAOYSA-N
MW462.00 g/mol
LogP5.00
Rot. Bonds8

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide (PubChem CID 55783699) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide
PubChem CID55783699
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide
SMILESCc1cc(C)n(CC(C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H28ClN5O/c1-18(16-31-20(3)13-19(2)29-31)15-28-25(33)14-22-17-32(24-7-5-4-6-8-24)30-26(22)21-9-11-23(27)12-10-21/h4-13,17-18H,14-16H2,1-3H3,(H,28,33)
InChIKeyHENQNTOBSMFMAB-UHFFFAOYSA-N
XLogP5.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
CID 55783966
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
CID 67048003
CID 67048003
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
N-(2-methyl-3-piperidin-1-ylpropyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 55982904
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1,3-diphenylpyrazol-4-yl)methyl]urea
CID 78832409
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
CID 122160112
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 9128848

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide (CID 55783699) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide is Cc1cc(C)n(CC(C)CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide?
The InChIKey is HENQNTOBSMFMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c1-18(16-31-20(3)13-19(2)29-31)15-28-25(33)14-22-17-32(24-7-5-4-6-8-24)30-26(22)21-9-11-23(27)12-10-21/h4-13,17-18H,14-16H2,1-3H3,(H,28,33).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide has a molecular weight of 462.00 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 55783699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).