3-(1-fluoroethyl)-5-methyl-1H-pyrazole

C6H9FN2 — CID 161239712

IUPAC3-(1-fluoroethyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C(C)F)n[nH]1
InChIInChI=1S/C6H9FN2/c1-4-3-6(5(2)7)9-8-4/h3,5H,1-2H3,(H,8,9)
InChIKeyNQPVNNNFAKMIBH-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.75
Rot. Bonds1

About 3-(1-fluoroethyl)-5-methyl-1H-pyrazole

3-(1-fluoroethyl)-5-methyl-1H-pyrazole (PubChem CID 161239712) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(1-fluoroethyl)-5-methyl-1H-pyrazole
PubChem CID161239712
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-(1-fluoroethyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C(C)F)n[nH]1
InChIInChI=1S/C6H9FN2/c1-4-3-6(5(2)7)9-8-4/h3,5H,1-2H3,(H,8,9)
InChIKeyNQPVNNNFAKMIBH-UHFFFAOYSA-N
XLogP1.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(1-fluoroethyl)-5-methyl-1H-pyrazole (CID 161239712) is 3-(1-fluoroethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(1-fluoroethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(1-fluoroethyl)-5-methyl-1H-pyrazole is Cc1cc(C(C)F)n[nH]1.
What is the InChIKey of 3-(1-fluoroethyl)-5-methyl-1H-pyrazole?
The InChIKey is NQPVNNNFAKMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-4-3-6(5(2)7)9-8-4/h3,5H,1-2H3,(H,8,9).
What are the key properties of 3-(1-fluoroethyl)-5-methyl-1H-pyrazole?
3-(1-fluoroethyl)-5-methyl-1H-pyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 161239712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).