1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone

C19H17F3N4O — CID 58487080

IUPAC1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1
InChIInChI=1S/C19H17F3N4O/c1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2/h3-8,10H,9H2,1-2H3,(H2,23,24)
InChIKeyIYDPYTIPRRIQGL-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.82
Rot. Bonds4

About 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone

1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone (PubChem CID 58487080) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone
PubChem CID58487080
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1
InChIInChI=1S/C19H17F3N4O/c1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2/h3-8,10H,9H2,1-2H3,(H2,23,24)
InChIKeyIYDPYTIPRRIQGL-UHFFFAOYSA-N
XLogP3.82
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone (CID 58487080) is 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.
What is the InChIKey of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone?
The InChIKey is IYDPYTIPRRIQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2/h3-8,10H,9H2,1-2H3,(H2,23,24).
What are the key properties of 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone?
1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone has a molecular weight of 374.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 58487080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).