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

C22H23N5O — CID 8899946

IUPACN-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H23N5O/c1-16-20(17(2)27(25-16)19-10-5-4-6-11-19)14-26(3)15-22(28)24-21-12-8-7-9-18(21)13-23/h4-12H,14-15H2,1-3H3,(H,24,28)
InChIKeyVUPDBXKQCAKSOQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.43
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 8899946) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID8899946
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H23N5O/c1-16-20(17(2)27(25-16)19-10-5-4-6-11-19)14-26(3)15-22(28)24-21-12-8-7-9-18(21)13-23/h4-12H,14-15H2,1-3H3,(H,24,28)
InChIKeyVUPDBXKQCAKSOQ-UHFFFAOYSA-N
XLogP3.43
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (CID 8899946) is N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is VUPDBXKQCAKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-20(17(2)27(25-16)19-10-5-4-6-11-19)14-26(3)15-22(28)24-21-12-8-7-9-18(21)13-23/h4-12H,14-15H2,1-3H3,(H,24,28).
What are the key properties of N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(2-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 373.46 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-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 8899946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).