2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine

C9H7F3N4 — CID 173108308

IUPAC2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)3-6-4-13-8(14-5-6)7-1-2-15-16-7/h1-2,4-5H,3H2,(H,15,16)
InChIKeyXAJDSJYNPFCJDT-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.97
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine

2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 173108308) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID173108308
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)3-6-4-13-8(14-5-6)7-1-2-15-16-7/h1-2,4-5H,3H2,(H,15,16)
InChIKeyXAJDSJYNPFCJDT-UHFFFAOYSA-N
XLogP1.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine (CID 173108308) is 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1cnc(-c2ccn[nH]2)nc1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is XAJDSJYNPFCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)3-6-4-13-8(14-5-6)7-1-2-15-16-7/h1-2,4-5H,3H2,(H,15,16).
What are the key properties of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine?
2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 228.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 173108308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).