N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide

C12H12F3N5O — CID 122300554

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)CC(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N5O/c1-7-3-8(2)20(19-7)11-16-5-9(6-17-11)18-10(21)4-12(13,14)15/h3,5-6H,4H2,1-2H3,(H,18,21)
InChIKeyFAAOHZHONVQAJP-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.17
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide (PubChem CID 122300554) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
PubChem CID122300554
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)CC(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N5O/c1-7-3-8(2)20(19-7)11-16-5-9(6-17-11)18-10(21)4-12(13,14)15/h3,5-6H,4H2,1-2H3,(H,18,21)
InChIKeyFAAOHZHONVQAJP-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300441
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
CID 122300536
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide (CID 122300554) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide is Cc1cc(C)n(-c2ncc(NC(=O)CC(F)(F)F)cn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The InChIKey is FAAOHZHONVQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-7-3-8(2)20(19-7)11-16-5-9(6-17-11)18-10(21)4-12(13,14)15/h3,5-6H,4H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide has a molecular weight of 299.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122300554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).