4-fluoro-5-(methoxymethyl)-1H-pyrazole

C5H7FN2O — CID 138548782

IUPAC4-fluoro-5-(methoxymethyl)-1H-pyrazole
SMILESCOCc1[nH]ncc1F
InChIInChI=1S/C5H7FN2O/c1-9-3-5-4(6)2-7-8-5/h2H,3H2,1H3,(H,7,8)
InChIKeyWQQUZIPFLBKVJN-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.70
Rot. Bonds2

About 4-fluoro-5-(methoxymethyl)-1H-pyrazole

4-fluoro-5-(methoxymethyl)-1H-pyrazole (PubChem CID 138548782) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 4-fluoro-5-(methoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-(methoxymethyl)-1H-pyrazole
PubChem CID138548782
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name4-fluoro-5-(methoxymethyl)-1H-pyrazole
SMILESCOCc1[nH]ncc1F
InChIInChI=1S/C5H7FN2O/c1-9-3-5-4(6)2-7-8-5/h2H,3H2,1H3,(H,7,8)
InChIKeyWQQUZIPFLBKVJN-UHFFFAOYSA-N
XLogP0.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-(methoxymethyl)-1H-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-5-(methoxymethyl)-1H-pyrazole?
The IUPAC name of 4-fluoro-5-(methoxymethyl)-1H-pyrazole (CID 138548782) is 4-fluoro-5-(methoxymethyl)-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-(methoxymethyl)-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-(methoxymethyl)-1H-pyrazole is COCc1[nH]ncc1F.
What is the InChIKey of 4-fluoro-5-(methoxymethyl)-1H-pyrazole?
The InChIKey is WQQUZIPFLBKVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-9-3-5-4(6)2-7-8-5/h2H,3H2,1H3,(H,7,8).
What are the key properties of 4-fluoro-5-(methoxymethyl)-1H-pyrazole?
4-fluoro-5-(methoxymethyl)-1H-pyrazole has a molecular weight of 130.12 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(methoxymethyl)-1H-pyrazole is sourced from PubChem (CID 138548782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).