4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole

C7H13FN2 — CID 146384606

IUPAC4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole
SMILESCC1=C(F)C(C)N(C)N1C
InChIInChI=1S/C7H13FN2/c1-5-7(8)6(2)10(4)9(5)3/h5H,1-4H3
InChIKeyHUMBZTMDOPGHQH-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.37
Rot. Bonds

About 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole

4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole (PubChem CID 146384606) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole.

Molecular Properties

Compound Name4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole
PubChem CID146384606
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole
SMILESCC1=C(F)C(C)N(C)N1C
InChIInChI=1S/C7H13FN2/c1-5-7(8)6(2)10(4)9(5)3/h5H,1-4H3
InChIKeyHUMBZTMDOPGHQH-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1,2,3,5-tetramethyl-3H-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 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole?
The IUPAC name of 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole (CID 146384606) is 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole.
What is the SMILES notation for 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole?
The canonical SMILES for 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole is CC1=C(F)C(C)N(C)N1C.
What is the InChIKey of 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole?
The InChIKey is HUMBZTMDOPGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-5-7(8)6(2)10(4)9(5)3/h5H,1-4H3.
What are the key properties of 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole?
4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole has a molecular weight of 144.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole is sourced from PubChem (CID 146384606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).