N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C19H15ClF3N3O3 — CID 156574593

IUPACN-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCOc1ccc(Cl)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyXHRLYAMGXNLXST-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.57
Rot. Bonds6

About N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574593) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574593
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC NameN-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCOc1ccc(Cl)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyXHRLYAMGXNLXST-UHFFFAOYSA-N
XLogP4.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156574593) is N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is COc1ccc(Cl)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.
What is the InChIKey of N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is XHRLYAMGXNLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-28-16-7-6-11(20)8-14(16)15-9-12(25-26-15)10-24-18(27)13-4-2-3-5-17(13)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 425.79 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).