1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one

C14H15F3N4O — CID 164562709

IUPAC1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one
SMILESCC(C)(C(=O)c1ccc(N)cn1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-13(2,12(22)11-4-3-10(18)6-19-11)9-5-20-21(7-9)8-14(15,16)17/h3-7H,8,18H2,1-2H3
InChIKeySBJGGZQBMVDBAM-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.58
Rot. Bonds4

About 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one

1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one (PubChem CID 164562709) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one
PubChem CID164562709
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one
SMILESCC(C)(C(=O)c1ccc(N)cn1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-13(2,12(22)11-4-3-10(18)6-19-11)9-5-20-21(7-9)8-14(15,16)17/h3-7H,8,18H2,1-2H3
InChIKeySBJGGZQBMVDBAM-UHFFFAOYSA-N
XLogP2.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-2-pyridinyl)-2-(4-bromophenyl)-2-methylpropan-1-one
CID 164562679
1-(5-amino-2-pyridinyl)-2-methyl-2-(4-methylpyrazol-1-yl)propan-1-one
CID 167156833
[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
CID 175276491
lithium 1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate
CID 171808216
(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315729
1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
CID 84662382
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
1-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]ethanone
CID 84659607
5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one (CID 164562709) is 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one is CC(C)(C(=O)c1ccc(N)cn1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one?
The InChIKey is SBJGGZQBMVDBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-13(2,12(22)11-4-3-10(18)6-19-11)9-5-20-21(7-9)8-14(15,16)17/h3-7H,8,18H2,1-2H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one?
1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 312.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 164562709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).