N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide

C24H17F3N4O2 — CID 5302319

IUPACN-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C24H17F3N4O2/c25-24(26,27)21-15-20(16-7-3-1-4-8-16)30-31(21)19-13-11-18(12-14-19)28-23(33)29-22(32)17-9-5-2-6-10-17/h1-15H,(H2,28,29,32,33)
InChIKeyFNJFSAZXRMRTHS-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.52
Rot. Bonds4

About N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide

N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide (PubChem CID 5302319) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
PubChem CID5302319
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC NameN-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C24H17F3N4O2/c25-24(26,27)21-15-20(16-7-3-1-4-8-16)30-31(21)19-13-11-18(12-14-19)28-23(33)29-22(32)17-9-5-2-6-10-17/h1-15H,(H2,28,29,32,33)
InChIKeyFNJFSAZXRMRTHS-UHFFFAOYSA-N
XLogP5.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 10298748
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 89354150
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide
CID 10184105
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
CID 9498377
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4,5-trifluorobenzamide
CID 54472602
N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 70361958
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
CID 4862276
4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide
CID 122370145

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide?
The IUPAC name of N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide (CID 5302319) is N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide?
The canonical SMILES for N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(-n2nc(-c3ccccc3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide?
The InChIKey is FNJFSAZXRMRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c25-24(26,27)21-15-20(16-7-3-1-4-8-16)30-31(21)19-13-11-18(12-14-19)28-23(33)29-22(32)17-9-5-2-6-10-17/h1-15H,(H2,28,29,32,33).
What are the key properties of N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide?
N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide has a molecular weight of 450.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 5302319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).