5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine

C17H17FN4OS — CID 90722088

IUPAC5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
SMILESCCc1cnc(-c2ccn(Cc3ccccc3F)n2)nc1S(C)=O
InChIInChI=1S/C17H17FN4OS/c1-3-12-10-19-16(20-17(12)24(2)23)15-8-9-22(21-15)11-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyKIWZXVDLPQFGLE-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.83
Rot. Bonds5

About 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine

5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine (PubChem CID 90722088) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
PubChem CID90722088
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
SMILESCCc1cnc(-c2ccn(Cc3ccccc3F)n2)nc1S(C)=O
InChIInChI=1S/C17H17FN4OS/c1-3-12-10-19-16(20-17(12)24(2)23)15-8-9-22(21-15)11-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyKIWZXVDLPQFGLE-UHFFFAOYSA-N
XLogP2.83
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidine
CID 91149613
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
CID 91337023
5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
CID 90991851
4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 141427956
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969658
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42210415
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 126467628
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine?
The IUPAC name of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine (CID 90722088) is 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine.
What is the SMILES notation for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine?
The canonical SMILES for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine is CCc1cnc(-c2ccn(Cc3ccccc3F)n2)nc1S(C)=O.
What is the InChIKey of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine?
The InChIKey is KIWZXVDLPQFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-3-12-10-19-16(20-17(12)24(2)23)15-8-9-22(21-15)11-13-6-4-5-7-14(13)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine?
5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine has a molecular weight of 344.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine is sourced from PubChem (CID 90722088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).