N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide

C19H10F9N3O2 — CID 2741276

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H10F9N3O2/c20-17(21,22)14-9-15(18(23,24)25)31(30-14)12-5-3-11(4-6-12)29-16(32)10-1-7-13(8-2-10)33-19(26,27)28/h1-9H,(H,29,32)
InChIKeyNOGYQWADZFMXSM-UHFFFAOYSA-N
MW483.29 g/mol
LogP6.06
Rot. Bonds4

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

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 2741276) has the molecular formula C19H10F9N3O2 and a molecular weight of 483.29 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID2741276
Molecular FormulaC19H10F9N3O2
Molecular Weight483.29 g/mol
Exact Mass483.06
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H10F9N3O2/c20-17(21,22)14-9-15(18(23,24)25)31(30-14)12-5-3-11(4-6-12)29-16(32)10-1-7-13(8-2-10)33-19(26,27)28/h1-9H,(H,29,32)
InChIKeyNOGYQWADZFMXSM-UHFFFAOYSA-N
XLogP6.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.29
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
5-Methyl-1-[2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-1H-pyrazole-3-carboxamide
CID 9950804
N-[4-[3-(Trifluoromethyl)-5-methoxy-1H-pyrazole-1-yl]phenyl]-2-fluorobenzamide
CID 11794090
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
1-[6-fluoro-2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 49866119
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122041

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide (CID 2741276) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NOGYQWADZFMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F9N3O2/c20-17(21,22)14-9-15(18(23,24)25)31(30-14)12-5-3-11(4-6-12)29-16(32)10-1-7-13(8-2-10)33-19(26,27)28/h1-9H,(H,29,32).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 483.29 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2741276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).