3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

C17H11ClF3N3O2 — CID 46920090

IUPAC3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H11ClF3N3O2/c18-13-7-2-1-6-12(13)14-9-15(24-23-14)16(25)22-10-4-3-5-11(8-10)26-17(19,20)21/h1-9H,(H,22,25)(H,23,24)
InChIKeyIULPBPVLYCEYJQ-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.88
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 46920090) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID46920090
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H11ClF3N3O2/c18-13-7-2-1-6-12(13)14-9-15(24-23-14)16(25)22-10-4-3-5-11(8-10)26-17(19,20)21/h1-9H,(H,22,25)(H,23,24)
InChIKeyIULPBPVLYCEYJQ-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112770772
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 46920090) is 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IULPBPVLYCEYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-13-7-2-1-6-12(13)14-9-15(24-23-14)16(25)22-10-4-3-5-11(8-10)26-17(19,20)21/h1-9H,(H,22,25)(H,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).