N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide

C20H15N5O — CID 136664337

IUPACN-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H15N5O/c1-14-9-19(17-7-5-15(11-21)6-8-17)24-25(14)13-20(26)23-18-4-2-3-16(10-18)12-22/h2-10H,13H2,1H3,(H,23,26)
InChIKeyIRMHJDHLROXLNP-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.24
Rot. Bonds4

About N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide

N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 136664337) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID136664337
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H15N5O/c1-14-9-19(17-7-5-15(11-21)6-8-17)24-25(14)13-20(26)23-18-4-2-3-16(10-18)12-22/h2-10H,13H2,1H3,(H,23,26)
InChIKeyIRMHJDHLROXLNP-UHFFFAOYSA-N
XLogP3.24
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide (CID 136664337) is N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is IRMHJDHLROXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-14-9-19(17-7-5-15(11-21)6-8-17)24-25(14)13-20(26)23-18-4-2-3-16(10-18)12-22/h2-10H,13H2,1H3,(H,23,26).
What are the key properties of N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 136664337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).