2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

C10H9F3N4 — CID 56869565

IUPAC2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(-c2ccn[nH]2)n1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)4-1-7-2-5-14-9(16-7)8-3-6-15-17-8/h2-3,5-6H,1,4H2,(H,15,17)
InChIKeyQRRSEQWWFIIAQL-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.36
Rot. Bonds3

About 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56869565) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56869565
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(-c2ccn[nH]2)n1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)4-1-7-2-5-14-9(16-7)8-3-6-15-17-8/h2-3,5-6H,1,4H2,(H,15,17)
InChIKeyQRRSEQWWFIIAQL-UHFFFAOYSA-N
XLogP2.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.36
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)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56869565) is 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1ccnc(-c2ccn[nH]2)n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is QRRSEQWWFIIAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)4-1-7-2-5-14-9(16-7)8-3-6-15-17-8/h2-3,5-6H,1,4H2,(H,15,17).
What are the key properties of 2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.36, 3 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)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56869565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).