5-(difluoromethoxy)-4-methyl-1H-pyrazole

C5H6F2N2O — CID 173141488

IUPAC5-(difluoromethoxy)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1OC(F)F
InChIInChI=1S/C5H6F2N2O/c1-3-2-8-9-4(3)10-5(6)7/h2,5H,1H3,(H,8,9)
InChIKeyQDXWNQZKQABVOB-UHFFFAOYSA-N
MW148.11 g/mol
LogP1.32
Rot. Bonds2

About 5-(difluoromethoxy)-4-methyl-1H-pyrazole

5-(difluoromethoxy)-4-methyl-1H-pyrazole (PubChem CID 173141488) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-methyl-1H-pyrazole
PubChem CID173141488
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name5-(difluoromethoxy)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1OC(F)F
InChIInChI=1S/C5H6F2N2O/c1-3-2-8-9-4(3)10-5(6)7/h2,5H,1H3,(H,8,9)
InChIKeyQDXWNQZKQABVOB-UHFFFAOYSA-N
XLogP1.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethoxy)-4-methyl-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

Related Compounds

3-methoxy-4-methyl-1H-pyrazole
CID 17852315
4-iodo-3-methoxy-1H-pyrazole
CID 67004784
4-bromo-5-methoxy-1H-pyrazole
CID 67388385
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1H-pyrazole-4-carbonitrile
CID 176438221
3-(Difluoromethoxy)-1H-pyrazole
CID 53694029
[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol
CID 54298978
4-chloro-5-(difluoromethoxy)-1H-pyrazole
CID 70340772
5-(difluoromethoxy)-1H-pyrazole-4-carbothialdehyde
CID 87821878
[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanethiol
CID 87821879
5-methoxy-4-(trifluoromethyl)-1H-pyrazole
CID 90713520
4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole
CID 90720157
5-ethoxy-4-fluoro-1H-pyrazole
CID 91604421

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-methyl-1H-pyrazole (CID 173141488) is 5-(difluoromethoxy)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-methyl-1H-pyrazole is Cc1cn[nH]c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-methyl-1H-pyrazole?
The InChIKey is QDXWNQZKQABVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-3-2-8-9-4(3)10-5(6)7/h2,5H,1H3,(H,8,9).
What are the key properties of 5-(difluoromethoxy)-4-methyl-1H-pyrazole?
5-(difluoromethoxy)-4-methyl-1H-pyrazole has a molecular weight of 148.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-methyl-1H-pyrazole is sourced from PubChem (CID 173141488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).