N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H16F3N3O2 — CID 91281685

IUPACN-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-16(12-24-25(17)14-4-2-1-3-5-14)18(27)23-11-10-13-6-8-15(26)9-7-13/h1-9,12,26H,10-11H2,(H,23,27)
InChIKeyYXGJQDFFKKWNCI-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 91281685) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID91281685
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)17-16(12-24-25(17)14-4-2-1-3-5-14)18(27)23-11-10-13-6-8-15(26)9-7-13/h1-9,12,26H,10-11H2,(H,23,27)
InChIKeyYXGJQDFFKKWNCI-UHFFFAOYSA-N
XLogP3.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
1-(4-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327058
2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanamido)benzoicacid
CID 46890165
N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725456
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 657770
N-(2-hydroxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25595919
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57392482
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127050793
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127051687
4-[(aminocarbonyl)amino]-1-(2-fluoro-4'-hydroxy-1,1'-biphenyl-4-yl)-1H-pyrazole-3-carboxamide
CID 44450764
4-(Carbamoylamino)-1-[4-(4-hydroxyphenyl)phenyl]pyrazole-3-carboxamide
CID 44450772
1-(3-(Aminomethyl)phenyl)-N-(3-(4-hydroxybenzyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356271

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 91281685) is N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YXGJQDFFKKWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)17-16(12-24-25(17)14-4-2-1-3-5-14)18(27)23-11-10-13-6-8-15(26)9-7-13/h1-9,12,26H,10-11H2,(H,23,27).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91281685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).