4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

C14H16F3N5 — CID 44821938

IUPAC4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C14H16F3N5/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-5-3-4-6-21/h7-9H,2-6H2,1H3
InChIKeyJSTBELIISYXMIZ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.98
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 44821938) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID44821938
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C14H16F3N5/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-5-3-4-6-21/h7-9H,2-6H2,1H3
InChIKeyJSTBELIISYXMIZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (CID 44821938) is 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is CCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is JSTBELIISYXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-2-22-9-10(8-18-22)11-7-12(14(15,16)17)20-13(19-11)21-5-3-4-6-21/h7-9H,2-6H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 44821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).