2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide

C14H17F3N4O2 — CID 175291778

IUPAC2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
SMILESCc1cc(CN2CC=CN2CC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N4O2/c1-10-5-11(6-19-13(10)23-9-14(15,16)17)7-20-3-2-4-21(20)8-12(18)22/h2,4-6H,3,7-9H2,1H3,(H2,18,22)
InChIKeyCCFWXRFFNJDXKP-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide

2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide (PubChem CID 175291778) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
PubChem CID175291778
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
SMILESCc1cc(CN2CC=CN2CC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N4O2/c1-10-5-11(6-19-13(10)23-9-14(15,16)17)7-20-3-2-4-21(20)8-12(18)22/h2,4-6H,3,7-9H2,1H3,(H2,18,22)
InChIKeyCCFWXRFFNJDXKP-UHFFFAOYSA-N
XLogP1.36
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291764
3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
CID 174765322
[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
CID 175338177
6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
CID 174836774
N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
CID 174836552
2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
CID 174765316
5,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 174746135
2-[[4-hydroxy-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177123
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 174836579
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90119234

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The IUPAC name of 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide (CID 175291778) is 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide is Cc1cc(CN2CC=CN2CC(N)=O)cnc1OCC(F)(F)F.
What is the InChIKey of 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
The InChIKey is CCFWXRFFNJDXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-10-5-11(6-19-13(10)23-9-14(15,16)17)7-20-3-2-4-21(20)8-12(18)22/h2,4-6H,3,7-9H2,1H3,(H2,18,22).
What are the key properties of 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide?
2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide has a molecular weight of 330.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide is sourced from PubChem (CID 175291778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).