4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

C19H17ClFN3O — CID 1303969

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1Cl
InChIInChI=1S/C19H17ClFN3O/c1-12-18(20)13(2)24(23-12)11-14-7-9-15(10-8-14)19(25)22-17-6-4-3-5-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyYCQBTXLVGSRYCK-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.59
Rot. Bonds4

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide (PubChem CID 1303969) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
PubChem CID1303969
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1Cl
InChIInChI=1S/C19H17ClFN3O/c1-12-18(20)13(2)24(23-12)11-14-7-9-15(10-8-14)19(25)22-17-6-4-3-5-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyYCQBTXLVGSRYCK-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide (CID 1303969) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide is Cc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
The InChIKey is YCQBTXLVGSRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-12-18(20)13(2)24(23-12)11-14-7-9-15(10-8-14)19(25)22-17-6-4-3-5-16(17)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide has a molecular weight of 357.82 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 1303969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).