2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide

C23H24N4O — CID 174835238

IUPAC2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-2-3-4-18-5-7-19(8-6-18)15-23(28)25-22-13-14-27(26-22)17-21-11-9-20(16-24)10-12-21/h5-14H,2-4,15,17H2,1H3,(H,25,26,28)
InChIKeyFYWQFBRXTQGJDT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.33
Rot. Bonds8

About 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 174835238) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID174835238
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-2-3-4-18-5-7-19(8-6-18)15-23(28)25-22-13-14-27(26-22)17-21-11-9-20(16-24)10-12-21/h5-14H,2-4,15,17H2,1H3,(H,25,26,28)
InChIKeyFYWQFBRXTQGJDT-UHFFFAOYSA-N
XLogP4.33
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide (CID 174835238) is 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide is CCCCc1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is FYWQFBRXTQGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-3-4-18-5-7-19(8-6-18)15-23(28)25-22-13-14-27(26-22)17-21-11-9-20(16-24)10-12-21/h5-14H,2-4,15,17H2,1H3,(H,25,26,28).
What are the key properties of 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 174835238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).