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

C18H13ClF3N3O — CID 46920548

IUPAC3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C18H13ClF3N3O/c19-13-6-3-5-11(8-13)15-9-16(25-24-15)17(26)23-10-12-4-1-2-7-14(12)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeySMAVEVDSDCKMOF-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.68
Rot. Bonds4

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

3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 46920548) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID46920548
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C18H13ClF3N3O/c19-13-6-3-5-11(8-13)15-9-16(25-24-15)17(26)23-10-12-4-1-2-7-14(12)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeySMAVEVDSDCKMOF-UHFFFAOYSA-N
XLogP4.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920544
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47027158
5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824502
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (CID 46920548) is 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SMAVEVDSDCKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c19-13-6-3-5-11(8-13)15-9-16(25-24-15)17(26)23-10-12-4-1-2-7-14(12)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).