4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine

C11H12ClFN4 — CID 172592519

IUPAC4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine
SMILESCCC(C)c1cnn(-c2nc(Cl)ncc2F)c1
InChIInChI=1S/C11H12ClFN4/c1-3-7(2)8-4-15-17(6-8)10-9(13)5-14-11(12)16-10/h4-7H,3H2,1-2H3
InChIKeyRZFXJUCEMXZDAY-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine

4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine (PubChem CID 172592519) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine
PubChem CID172592519
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine
SMILESCCC(C)c1cnn(-c2nc(Cl)ncc2F)c1
InChIInChI=1S/C11H12ClFN4/c1-3-7(2)8-4-15-17(6-8)10-9(13)5-14-11(12)16-10/h4-7H,3H2,1-2H3
InChIKeyRZFXJUCEMXZDAY-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine?
The IUPAC name of 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine (CID 172592519) is 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine.
What is the SMILES notation for 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine?
The canonical SMILES for 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine is CCC(C)c1cnn(-c2nc(Cl)ncc2F)c1.
What is the InChIKey of 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine?
The InChIKey is RZFXJUCEMXZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-3-7(2)8-4-15-17(6-8)10-9(13)5-14-11(12)16-10/h4-7H,3H2,1-2H3.
What are the key properties of 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine?
4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine has a molecular weight of 254.70 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpyrazol-1-yl)-2-chloro-5-fluoropyrimidine is sourced from PubChem (CID 172592519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).