5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine

C16H12ClFN4 — CID 167977507

IUPAC5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine
SMILESFc1ccc(-c2cc(C3CC3)nn2-c2ncncc2Cl)cc1
InChIInChI=1S/C16H12ClFN4/c17-13-8-19-9-20-16(13)22-15(7-14(21-22)10-1-2-10)11-3-5-12(18)6-4-11/h3-10H,1-2H2
InChIKeyKFSMLMHUFSQVTG-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.00
Rot. Bonds3

About 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine

5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine (PubChem CID 167977507) has the molecular formula C16H12ClFN4 and a molecular weight of 314.75 g/mol. Its IUPAC name is 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine
PubChem CID167977507
Molecular FormulaC16H12ClFN4
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine
SMILESFc1ccc(-c2cc(C3CC3)nn2-c2ncncc2Cl)cc1
InChIInChI=1S/C16H12ClFN4/c17-13-8-19-9-20-16(13)22-15(7-14(21-22)10-1-2-10)11-3-5-12(18)6-4-11/h3-10H,1-2H2
InChIKeyKFSMLMHUFSQVTG-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine (CID 167977507) is 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine is Fc1ccc(-c2cc(C3CC3)nn2-c2ncncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine?
The InChIKey is KFSMLMHUFSQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4/c17-13-8-19-9-20-16(13)22-15(7-14(21-22)10-1-2-10)11-3-5-12(18)6-4-11/h3-10H,1-2H2.
What are the key properties of 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine?
5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine has a molecular weight of 314.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 167977507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).