2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine

C8H6ClFN4O — CID 130511223

IUPAC2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine
SMILESCOc1cnn(-c2nc(Cl)ncc2F)c1
InChIInChI=1S/C8H6ClFN4O/c1-15-5-2-12-14(4-5)7-6(10)3-11-8(9)13-7/h2-4H,1H3
InChIKeyFPWMRTJXWJNBGU-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.46
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine

2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine (PubChem CID 130511223) has the molecular formula C8H6ClFN4O and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine
PubChem CID130511223
Molecular FormulaC8H6ClFN4O
Molecular Weight228.61 g/mol
Exact Mass228.02
IUPAC Name2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine
SMILESCOc1cnn(-c2nc(Cl)ncc2F)c1
InChIInChI=1S/C8H6ClFN4O/c1-15-5-2-12-14(4-5)7-6(10)3-11-8(9)13-7/h2-4H,1H3
InChIKeyFPWMRTJXWJNBGU-UHFFFAOYSA-N
XLogP1.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-fluoro-4-(4-methoxypyrazol-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

Related Compounds

5,8-Dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine
CID 137796803
3-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 67325432
2-(2,2,3,4,4,4-Hexafluorobutoxy)-5-methoxy-4-(1,2,4-triazol-1-yl)pyrimidine
CID 87548021
2-[5-(1-Bromoethyl)-1,2,4-triazol-1-yl]-5-(difluoromethoxy)pyrimidine
CID 166568003
5-Chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 167327370
2-(4-Fluoropyrazol-1-yl)-6-methoxypyrazine
CID 169574321
5-Fluoro-4-(4-fluoropyrazol-1-yl)-2-methoxypyrimidine
CID 169574424
5-Fluoro-2-(methoxymethyl)-4-pyrazol-1-ylpyrimidine
CID 169574561
3-(4-Fluoropyrazol-1-yl)-6-methoxy-1,2,4-triazine
CID 169574943
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrazine
CID 169574990
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine (CID 130511223) is 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine is COc1cnn(-c2nc(Cl)ncc2F)c1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine?
The InChIKey is FPWMRTJXWJNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O/c1-15-5-2-12-14(4-5)7-6(10)3-11-8(9)13-7/h2-4H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine?
2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine has a molecular weight of 228.61 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine is sourced from PubChem (CID 130511223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).