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

C19H17ClFN3O2 — CID 75403853

IUPAC5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-11-8-12(2)24(23-11)17-6-5-14(10-16(17)21)22-19(25)15-9-13(20)4-7-18(15)26-3/h4-10H,1-3H3,(H,22,25)
InChIKeyJRMFGZBULPLMGX-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.54
Rot. Bonds4

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

5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide (PubChem CID 75403853) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide
PubChem CID75403853
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C19H17ClFN3O2/c1-11-8-12(2)24(23-11)17-6-5-14(10-16(17)21)22-19(25)15-9-13(20)4-7-18(15)26-3/h4-10H,1-3H3,(H,22,25)
InChIKeyJRMFGZBULPLMGX-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide (CID 75403853) is 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1.
What is the InChIKey of 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide?
The InChIKey is JRMFGZBULPLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-11-8-12(2)24(23-11)17-6-5-14(10-16(17)21)22-19(25)15-9-13(20)4-7-18(15)26-3/h4-10H,1-3H3,(H,22,25).
What are the key properties of 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide?
5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide has a molecular weight of 373.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide is sourced from PubChem (CID 75403853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).