2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine

C13H8ClFN4 — CID 22037213

IUPAC2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C13H8ClFN4/c14-13-16-6-5-11(18-13)10-7-17-19-12(10)8-1-3-9(15)4-2-8/h1-7H,(H,17,19)
InChIKeyCFJISFYUFMEVHM-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine

2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine (PubChem CID 22037213) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
PubChem CID22037213
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(Cl)n2)cc1
InChIInChI=1S/C13H8ClFN4/c14-13-16-6-5-11(18-13)10-7-17-19-12(10)8-1-3-9(15)4-2-8/h1-7H,(H,17,19)
InChIKeyCFJISFYUFMEVHM-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine (CID 22037213) is 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine is Fc1ccc(-c2[nH]ncc2-c2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine?
The InChIKey is CFJISFYUFMEVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-13-16-6-5-11(18-13)10-7-17-19-12(10)8-1-3-9(15)4-2-8/h1-7H,(H,17,19).
What are the key properties of 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine?
2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine has a molecular weight of 274.69 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 22037213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).