N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide

C20H17FN4O — CID 154750302

IUPACN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1F
InChIInChI=1S/C20H17FN4O/c1-12-5-4-6-17(18(12)21)20(26)23-19-13(2)14(3)24-25(19)16-9-7-15(11-22)8-10-16/h4-10H,1-3H3,(H,23,26)
InChIKeyBKCFQQAECLOMRS-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.06
Rot. Bonds3

About N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide

N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide (PubChem CID 154750302) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
PubChem CID154750302
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1F
InChIInChI=1S/C20H17FN4O/c1-12-5-4-6-17(18(12)21)20(26)23-19-13(2)14(3)24-25(19)16-9-7-15(11-22)8-10-16/h4-10H,1-3H3,(H,23,26)
InChIKeyBKCFQQAECLOMRS-UHFFFAOYSA-N
XLogP4.06
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide (CID 154750302) is N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1F.
What is the InChIKey of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide?
The InChIKey is BKCFQQAECLOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-5-4-6-17(18(12)21)20(26)23-19-13(2)14(3)24-25(19)16-9-7-15(11-22)8-10-16/h4-10H,1-3H3,(H,23,26).
What are the key properties of N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide?
N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide has a molecular weight of 348.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 154750302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).