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

C17H12F3N3O — CID 26725448

IUPACN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-11H,(H,22,24)
InChIKeyCHNCXOXJIBKKOV-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.14
Rot. Bonds3

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

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 26725448) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID26725448
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-11H,(H,22,24)
InChIKeyCHNCXOXJIBKKOV-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
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
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
2-phenyl-5-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60554049
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
3-(5-phenyl-1,3-oxazol-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 55491975
ethyl 2-methyl-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55633563

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 26725448) is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1.
What is the InChIKey of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CHNCXOXJIBKKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-11H,(H,22,24).
What are the key properties of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide?
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 331.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).