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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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).