5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

C17H15F3N4O — CID 91084378

IUPAC5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCOc1ccc(NC(c2cn[nH]c2)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N4O/c1-25-12-6-7-15(21-10-12)24-16(11-8-22-23-9-11)13-4-2-3-5-14(13)17(18,19)20/h2-10,16H,1H3,(H,21,24)(H,22,23)
InChIKeyXOULRHKRWWQEMW-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.03
Rot. Bonds5

About 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 91084378) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
PubChem CID91084378
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCOc1ccc(NC(c2cn[nH]c2)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N4O/c1-25-12-6-7-15(21-10-12)24-16(11-8-22-23-9-11)13-4-2-3-5-14(13)17(18,19)20/h2-10,16H,1H3,(H,21,24)(H,22,23)
InChIKeyXOULRHKRWWQEMW-UHFFFAOYSA-N
XLogP4.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 91535030
2,3-dimethyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 91155910
4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 91293685
4-methylsulfonyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 90805362
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105190882
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (CID 91084378) is 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is COc1ccc(NC(c2cn[nH]c2)c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is XOULRHKRWWQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-25-12-6-7-15(21-10-12)24-16(11-8-22-23-9-11)13-4-2-3-5-14(13)17(18,19)20/h2-10,16H,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 348.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 91084378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).