4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine

C14H13FN4S — CID 141064510

IUPAC4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2=CCN(c3ccc(F)cc3)N2)n1
InChIInChI=1S/C14H13FN4S/c1-20-14-16-8-6-12(17-14)13-7-9-19(18-13)11-4-2-10(15)3-5-11/h2-8,18H,9H2,1H3
InChIKeyCBLNFTPXGGKUDW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.70
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine

4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine (PubChem CID 141064510) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine
PubChem CID141064510
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(C2=CCN(c3ccc(F)cc3)N2)n1
InChIInChI=1S/C14H13FN4S/c1-20-14-16-8-6-12(17-14)13-7-9-19(18-13)11-4-2-10(15)3-5-11/h2-8,18H,9H2,1H3
InChIKeyCBLNFTPXGGKUDW-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66937411
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CID 863178
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CID 2767628
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CID 126787180
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CID 11514330
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CID 22125139
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CID 22675220
CID 22675220

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine (CID 141064510) is 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine is CSc1nccc(C2=CCN(c3ccc(F)cc3)N2)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine?
The InChIKey is CBLNFTPXGGKUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-20-14-16-8-6-12(17-14)13-7-9-19(18-13)11-4-2-10(15)3-5-11/h2-8,18H,9H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine?
4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine has a molecular weight of 288.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1,3-dihydropyrazol-5-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 141064510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).