4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole

C9H14FN3O — CID 134540667

IUPAC4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole
SMILESCOc1nn(C)cc1C1CC(F)CN1
InChIInChI=1S/C9H14FN3O/c1-13-5-7(9(12-13)14-2)8-3-6(10)4-11-8/h5-6,8,11H,3-4H2,1-2H3
InChIKeyLMXISXWJRSIFDQ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.80
Rot. Bonds2

About 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole

4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole (PubChem CID 134540667) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole
PubChem CID134540667
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole
SMILESCOc1nn(C)cc1C1CC(F)CN1
InChIInChI=1S/C9H14FN3O/c1-13-5-7(9(12-13)14-2)8-3-6(10)4-11-8/h5-6,8,11H,3-4H2,1-2H3
InChIKeyLMXISXWJRSIFDQ-UHFFFAOYSA-N
XLogP0.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole 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-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole?
The IUPAC name of 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole (CID 134540667) is 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole.
What is the SMILES notation for 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole?
The canonical SMILES for 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole is COc1nn(C)cc1C1CC(F)CN1.
What is the InChIKey of 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole?
The InChIKey is LMXISXWJRSIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-13-5-7(9(12-13)14-2)8-3-6(10)4-11-8/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole?
4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole has a molecular weight of 199.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrrolidin-2-yl)-3-methoxy-1-methylpyrazole is sourced from PubChem (CID 134540667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).