N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide

C18H15F3N4O2 — CID 119105177

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(5-6-24-25)14-7-12(9-22-11-14)10-23-17(26)13-3-2-4-15(8-13)27-18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyCTWGULYWAXZNRT-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.31
Rot. Bonds5

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 119105177) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID119105177
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(5-6-24-25)14-7-12(9-22-11-14)10-23-17(26)13-3-2-4-15(8-13)27-18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyCTWGULYWAXZNRT-UHFFFAOYSA-N
XLogP3.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 91632300
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide (CID 119105177) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide is Cn1nccc1-c1cncc(CNC(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is CTWGULYWAXZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(5-6-24-25)14-7-12(9-22-11-14)10-23-17(26)13-3-2-4-15(8-13)27-18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 119105177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).