4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C14H15F4N5 — CID 135374427

IUPAC4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(CCF)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C14H15F4N5/c1-8-11(7-23(22-8)5-4-15)20-13-19-6-10(14(16,17)18)12(21-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,20,21)
InChIKeyUMYZNOWTWNEHQA-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.59
Rot. Bonds5

About 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374427) has the molecular formula C14H15F4N5 and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374427
Molecular FormulaC14H15F4N5
Molecular Weight329.30 g/mol
Exact Mass329.13
IUPAC Name4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(CCF)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C14H15F4N5/c1-8-11(7-23(22-8)5-4-15)20-13-19-6-10(14(16,17)18)12(21-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,20,21)
InChIKeyUMYZNOWTWNEHQA-UHFFFAOYSA-N
XLogP3.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374427) is 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(CCF)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UMYZNOWTWNEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N5/c1-8-11(7-23(22-8)5-4-15)20-13-19-6-10(14(16,17)18)12(21-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).