N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide

C18H15F3N4O2 — CID 122275401

IUPACN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cc(-c2ncccc2CNC(=O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C18H15F3N4O2/c1-25-11-14(10-24-25)16-13(5-3-7-22-16)9-23-17(26)12-4-2-6-15(8-12)27-18(19,20)21/h2-8,10-11H,9H2,1H3,(H,23,26)
InChIKeyCMDRMRQNBPCRMT-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.31
Rot. Bonds5

About N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide

N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 122275401) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID122275401
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
SMILESCn1cc(-c2ncccc2CNC(=O)c2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C18H15F3N4O2/c1-25-11-14(10-24-25)16-13(5-3-7-22-16)9-23-17(26)12-4-2-6-15(8-12)27-18(19,20)21/h2-8,10-11H,9H2,1H3,(H,23,26)
InChIKeyCMDRMRQNBPCRMT-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

3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide (CID 122275401) is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide is Cn1cc(-c2ncccc2CNC(=O)c2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is CMDRMRQNBPCRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-11-14(10-24-25)16-13(5-3-7-22-16)9-23-17(26)12-4-2-6-15(8-12)27-18(19,20)21/h2-8,10-11H,9H2,1H3,(H,23,26).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide?
N-[[2-(1-methylpyrazol-4-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-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122275401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).