4-ethyl-5-(3-fluorophenyl)-1H-pyrazole

C11H11FN2 — CID 143699505

IUPAC4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
SMILESCCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H11FN2/c1-2-8-7-13-14-11(8)9-4-3-5-10(12)6-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyLXORVHUYZPNCEH-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.78
Rot. Bonds2

About 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole

4-ethyl-5-(3-fluorophenyl)-1H-pyrazole (PubChem CID 143699505) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
PubChem CID143699505
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
SMILESCCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C11H11FN2/c1-2-8-7-13-14-11(8)9-4-3-5-10(12)6-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyLXORVHUYZPNCEH-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 77097342
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166300747
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 42519423
N-[3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropyl]acetamide
CID 170831436
[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138809243

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole (CID 143699505) is 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole is CCc1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole?
The InChIKey is LXORVHUYZPNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-8-7-13-14-11(8)9-4-3-5-10(12)6-9/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole?
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 143699505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).