N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide

C18H13FN4O — CID 10591772

IUPACN-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN4O/c1-12(24)21-15-6-2-13(3-7-15)18-10-16(11-20)22-23(18)17-8-4-14(19)5-9-17/h2-10H,1H3,(H,21,24)
InChIKeyXKYJVVBOBYXAMI-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.51
Rot. Bonds3

About N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide

N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide (PubChem CID 10591772) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide
PubChem CID10591772
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC NameN-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN4O/c1-12(24)21-15-6-2-13(3-7-15)18-10-16(11-20)22-23(18)17-8-4-14(19)5-9-17/h2-10H,1H3,(H,21,24)
InChIKeyXKYJVVBOBYXAMI-UHFFFAOYSA-N
XLogP3.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide (CID 10591772) is N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide?
The InChIKey is XKYJVVBOBYXAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-12(24)21-15-6-2-13(3-7-15)18-10-16(11-20)22-23(18)17-8-4-14(19)5-9-17/h2-10H,1H3,(H,21,24).
What are the key properties of N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide?
N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide has a molecular weight of 320.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-(4-fluorophenyl)pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 10591772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).