2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide

C13H13F5N6O2 — CID 140943291

IUPAC2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide
SMILESCCOc1nc(Nc2cn(C(F)(F)C(N)=O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H13F5N6O2/c1-3-26-9-7(12(14,15)16)4-20-11(22-9)21-8-5-24(23-6(8)2)13(17,18)10(19)25/h4-5H,3H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyRBIHFUFZHAOKGV-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide

2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide (PubChem CID 140943291) has the molecular formula C13H13F5N6O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide
PubChem CID140943291
Molecular FormulaC13H13F5N6O2
Molecular Weight380.28 g/mol
Exact Mass380.10
IUPAC Name2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide
SMILESCCOc1nc(Nc2cn(C(F)(F)C(N)=O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H13F5N6O2/c1-3-26-9-7(12(14,15)16)4-20-11(22-9)21-8-5-24(23-6(8)2)13(17,18)10(19)25/h4-5H,3H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyRBIHFUFZHAOKGV-UHFFFAOYSA-N
XLogP2.18
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide?
The IUPAC name of 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide (CID 140943291) is 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide?
The canonical SMILES for 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide is CCOc1nc(Nc2cn(C(F)(F)C(N)=O)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide?
The InChIKey is RBIHFUFZHAOKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N6O2/c1-3-26-9-7(12(14,15)16)4-20-11(22-9)21-8-5-24(23-6(8)2)13(17,18)10(19)25/h4-5H,3H2,1-2H3,(H2,19,25)(H,20,21,22).
What are the key properties of 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide?
2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide has a molecular weight of 380.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 140943291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).