N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C10H10F3N5 — CID 80868324

IUPACN-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H10F3N5/c1-2-14-9-15-4-3-8(17-9)18-6-7(5-16-18)10(11,12)13/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyKIHHDESURMEMLO-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.11
Rot. Bonds3

About N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80868324) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80868324
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H10F3N5/c1-2-14-9-15-4-3-8(17-9)18-6-7(5-16-18)10(11,12)13/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyKIHHDESURMEMLO-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80868324) is N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is CCNc1nccc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is KIHHDESURMEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-2-14-9-15-4-3-8(17-9)18-6-7(5-16-18)10(11,12)13/h3-6H,2H2,1H3,(H,14,15,17).
What are the key properties of N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80868324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).