4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide

C20H16F3N3O — CID 54596273

IUPAC4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide
SMILESCn1nc(C2CC2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C20H16F3N3O/c1-26-18(10-17(25-26)11-5-6-11)13-8-7-12(9-16(13)23)20(27)24-19-14(21)3-2-4-15(19)22/h2-4,7-11H,5-6H2,1H3,(H,24,27)
InChIKeyBIJVCSMSQOTSEM-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.63
Rot. Bonds4

About 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide

4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide (PubChem CID 54596273) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide
PubChem CID54596273
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide
SMILESCn1nc(C2CC2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C20H16F3N3O/c1-26-18(10-17(25-26)11-5-6-11)13-8-7-12(9-16(13)23)20(27)24-19-14(21)3-2-4-15(19)22/h2-4,7-11H,5-6H2,1H3,(H,24,27)
InChIKeyBIJVCSMSQOTSEM-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide?
The IUPAC name of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide (CID 54596273) is 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide is Cn1nc(C2CC2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.
What is the InChIKey of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide?
The InChIKey is BIJVCSMSQOTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-26-18(10-17(25-26)11-5-6-11)13-8-7-12(9-16(13)23)20(27)24-19-14(21)3-2-4-15(19)22/h2-4,7-11H,5-6H2,1H3,(H,24,27).
What are the key properties of 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide?
4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide has a molecular weight of 371.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 54596273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).