1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole

C10H17FN2 — CID 118303914

IUPAC1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole
SMILESCC(C)CCc1cnn(CCF)c1
InChIInChI=1S/C10H17FN2/c1-9(2)3-4-10-7-12-13(8-10)6-5-11/h7-9H,3-6H2,1-2H3
InChIKeySIDVZEMAFBNVFI-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole

1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole (PubChem CID 118303914) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole
PubChem CID118303914
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole
SMILESCC(C)CCc1cnn(CCF)c1
InChIInChI=1S/C10H17FN2/c1-9(2)3-4-10-7-12-13(8-10)6-5-11/h7-9H,3-6H2,1-2H3
InChIKeySIDVZEMAFBNVFI-UHFFFAOYSA-N
XLogP2.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole (CID 118303914) is 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole is CC(C)CCc1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole?
The InChIKey is SIDVZEMAFBNVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-9(2)3-4-10-7-12-13(8-10)6-5-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole?
1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole has a molecular weight of 184.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(3-methylbutyl)pyrazole is sourced from PubChem (CID 118303914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).