4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine

C8H6ClFN4 — CID 115417270

IUPAC4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine
SMILESCc1nn(-c2cc(F)ncn2)cc1Cl
InChIInChI=1S/C8H6ClFN4/c1-5-6(9)3-14(13-5)8-2-7(10)11-4-12-8/h2-4H,1H3
InChIKeyFSSFMJWJVGBKPR-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.76
Rot. Bonds1

About 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine

4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine (PubChem CID 115417270) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine
PubChem CID115417270
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine
SMILESCc1nn(-c2cc(F)ncn2)cc1Cl
InChIInChI=1S/C8H6ClFN4/c1-5-6(9)3-14(13-5)8-2-7(10)11-4-12-8/h2-4H,1H3
InChIKeyFSSFMJWJVGBKPR-UHFFFAOYSA-N
XLogP1.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine (CID 115417270) is 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine is Cc1nn(-c2cc(F)ncn2)cc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine?
The InChIKey is FSSFMJWJVGBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c1-5-6(9)3-14(13-5)8-2-7(10)11-4-12-8/h2-4H,1H3.
What are the key properties of 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine?
4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine has a molecular weight of 212.62 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpyrazol-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115417270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).