N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide

C18H12Cl2N4O — CID 155063425

IUPACN-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-1-6-17(20)13(7-14)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25)
InChIKeyAKYXMJSQXNUPIO-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.23
Rot. Bonds4

About N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide

N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide (PubChem CID 155063425) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
PubChem CID155063425
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-1-6-17(20)13(7-14)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25)
InChIKeyAKYXMJSQXNUPIO-UHFFFAOYSA-N
XLogP4.23
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
CID 155063465
2-(2-chloro-4,5-difluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]acetamide
CID 155485783
1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
CID 82292110
N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide
CID 166284474
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
CID 155485807
2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
CID 50988853
N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
2-(3-chloro-4-pyridinyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]acetamide;N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]-2-[4-(difluoromethyl)phenyl]acetamide
CID 161261892
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
CID 155063461
N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 166364069
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?
The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide (CID 155063425) is N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide is N#Cc1cnn(-c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cc2)c1.
What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?
The InChIKey is AKYXMJSQXNUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-14-1-6-17(20)13(7-14)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25).
What are the key properties of N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide?
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide has a molecular weight of 371.23 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 155063425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).