2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide

C27H27N5O2 — CID 55762936

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C27H27N5O2/c1-18-14-15-22(29-27(34)28-21-10-6-4-7-11-21)16-25(18)30-26(33)17-24-19(2)31-32(20(24)3)23-12-8-5-9-13-23/h4-16H,17H2,1-3H3,(H,30,33)(H2,28,29,34)
InChIKeyCMTZMSICWVZVKJ-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.62
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 55762936) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID55762936
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C27H27N5O2/c1-18-14-15-22(29-27(34)28-21-10-6-4-7-11-21)16-25(18)30-26(33)17-24-19(2)31-32(20(24)3)23-12-8-5-9-13-23/h4-16H,17H2,1-3H3,(H,30,33)(H2,28,29,34)
InChIKeyCMTZMSICWVZVKJ-UHFFFAOYSA-N
XLogP5.62
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 18200170
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55779388
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 27830071
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628856
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 51211336
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34067099
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 86865590
2-[1-[4-(hydroxycarbamoylamino)phenyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 175229448
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 131908651
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide (CID 55762936) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is CMTZMSICWVZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-18-14-15-22(29-27(34)28-21-10-6-4-7-11-21)16-25(18)30-26(33)17-24-19(2)31-32(20(24)3)23-12-8-5-9-13-23/h4-16H,17H2,1-3H3,(H,30,33)(H2,28,29,34).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 55762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).