2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine

C10H10ClFN4 — CID 79075262

IUPAC2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2F)c(C)c1C
InChIInChI=1S/C10H10ClFN4/c1-5-6(2)15-16(7(5)3)9-8(12)4-13-10(11)14-9/h4H,1-3H3
InChIKeyUOGZFTCVPJFCDH-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.38
Rot. Bonds1

About 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine

2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine (PubChem CID 79075262) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine
PubChem CID79075262
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2F)c(C)c1C
InChIInChI=1S/C10H10ClFN4/c1-5-6(2)15-16(7(5)3)9-8(12)4-13-10(11)14-9/h4H,1-3H3
InChIKeyUOGZFTCVPJFCDH-UHFFFAOYSA-N
XLogP2.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine (CID 79075262) is 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine is Cc1nn(-c2nc(Cl)ncc2F)c(C)c1C.
What is the InChIKey of 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine?
The InChIKey is UOGZFTCVPJFCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-5-6(2)15-16(7(5)3)9-8(12)4-13-10(11)14-9/h4H,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine?
2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine has a molecular weight of 240.67 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 79075262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).