1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H15ClF3N3O2 — CID 59240155

IUPAC1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16(11-17(25-26)19(21,22)23)18(28)24-10-9-12-5-7-13(27)8-6-12/h1-8,11,27H,9-10H2,(H,24,28)
InChIKeyZDCOIQHTCQVBBF-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59240155) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID59240155
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16(11-17(25-26)19(21,22)23)18(28)24-10-9-12-5-7-13(27)8-6-12/h1-8,11,27H,9-10H2,(H,24,28)
InChIKeyZDCOIQHTCQVBBF-UHFFFAOYSA-N
XLogP4.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(3,5-difluoro-4-hydroxyphenyl)acetamide
CID 87087896
1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethyl)amino)(4-hydroxyphenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355747
1-(3-(Aminomethyl)phenyl)-N-(3-(4-hydroxybenzyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356271
1-(3-(aminomethyl)phenyl)-N-(3-(3-hydroxybenzyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665628
1-(3-(aminomethyl)phenyl)-N-(2-chloro-5-(hydroxy(phenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665810
1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 164615323
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-(3,5-difluoro-4-hydroxyphenyl)propanamide
CID 49801346
2-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458631
2-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458642
2-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458644
2-(2-chlorophenyl)-N-(1-phenylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458646
2-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458647

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59240155) is 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZDCOIQHTCQVBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16(11-17(25-26)19(21,22)23)18(28)24-10-9-12-5-7-13(27)8-6-12/h1-8,11,27H,9-10H2,(H,24,28).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59240155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).