4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

C20H14F3N5O — CID 26725796

IUPAC4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)15-5-8-18(28-12-2-10-25-28)17(13-15)26-19(29)14-3-6-16(7-4-14)27-11-1-9-24-27/h1-13H,(H,26,29)
InChIKeyINBPOISRWCSZRI-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.33
Rot. Bonds4

About 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 26725796) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID26725796
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)15-5-8-18(28-12-2-10-25-28)17(13-15)26-19(29)14-3-6-16(7-4-14)27-11-1-9-24-27/h1-13H,(H,26,29)
InChIKeyINBPOISRWCSZRI-UHFFFAOYSA-N
XLogP4.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
2-phenyl-5-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60554049
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]thiophene-3-carboxamide
CID 26725781

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 26725796) is 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is INBPOISRWCSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)15-5-8-18(28-12-2-10-25-28)17(13-15)26-19(29)14-3-6-16(7-4-14)27-11-1-9-24-27/h1-13H,(H,26,29).
What are the key properties of 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).