4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine

C9H8ClFN4 — CID 170783070

IUPAC4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine
SMILESCc1cnn(C)c1-c1ncc(F)c(Cl)n1
InChIInChI=1S/C9H8ClFN4/c1-5-3-13-15(2)7(5)9-12-4-6(11)8(10)14-9/h3-4H,1-2H3
InChIKeyBDXFFORUSFVPEZ-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine

4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine (PubChem CID 170783070) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine
PubChem CID170783070
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine
SMILESCc1cnn(C)c1-c1ncc(F)c(Cl)n1
InChIInChI=1S/C9H8ClFN4/c1-5-3-13-15(2)7(5)9-12-4-6(11)8(10)14-9/h3-4H,1-2H3
InChIKeyBDXFFORUSFVPEZ-UHFFFAOYSA-N
XLogP1.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine?
The IUPAC name of 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine (CID 170783070) is 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine?
The canonical SMILES for 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine is Cc1cnn(C)c1-c1ncc(F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine?
The InChIKey is BDXFFORUSFVPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-5-3-13-15(2)7(5)9-12-4-6(11)8(10)14-9/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine?
4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine has a molecular weight of 226.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine is sourced from PubChem (CID 170783070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).