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

C19H15FN4O — CID 136664316

IUPAC2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-13-10-18(15-4-2-14(11-21)3-5-15)23-24(13)12-19(25)22-17-8-6-16(20)7-9-17/h2-10H,12H2,1H3,(H,22,25)
InChIKeyVCHXBGNRWVVXPE-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.51
Rot. Bonds4

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

2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 136664316) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID136664316
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-13-10-18(15-4-2-14(11-21)3-5-15)23-24(13)12-19(25)22-17-8-6-16(20)7-9-17/h2-10H,12H2,1H3,(H,22,25)
InChIKeyVCHXBGNRWVVXPE-UHFFFAOYSA-N
XLogP3.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide (CID 136664316) is 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide is Cc1cc(-c2ccc(C#N)cc2)nn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is VCHXBGNRWVVXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-13-10-18(15-4-2-14(11-21)3-5-15)23-24(13)12-19(25)22-17-8-6-16(20)7-9-17/h2-10H,12H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanophenyl)-5-methylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136664316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).