N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide

C20H13F6N3O — CID 51352543

IUPACN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cccc(F)c1F
InChIInChI=1S/C20H13F6N3O/c21-13-3-1-2-12(18(13)23)19(30)27-11-6-7-15(14(22)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
InChIKeyUAQNSPWVOORBLB-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.44
Rot. Bonds4

About N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide (PubChem CID 51352543) has the molecular formula C20H13F6N3O and a molecular weight of 425.33 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide
PubChem CID51352543
Molecular FormulaC20H13F6N3O
Molecular Weight425.33 g/mol
Exact Mass425.10
IUPAC NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cccc(F)c1F
InChIInChI=1S/C20H13F6N3O/c21-13-3-1-2-12(18(13)23)19(30)27-11-6-7-15(14(22)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
InChIKeyUAQNSPWVOORBLB-UHFFFAOYSA-N
XLogP5.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide?
The IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide (CID 51352543) is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1cccc(F)c1F.
What is the InChIKey of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide?
The InChIKey is UAQNSPWVOORBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O/c21-13-3-1-2-12(18(13)23)19(30)27-11-6-7-15(14(22)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30).
What are the key properties of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide?
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide has a molecular weight of 425.33 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-2,3-difluorobenzamide is sourced from PubChem (CID 51352543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).