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

C4H3ClF2N2O — CID 70340772

IUPAC4-chloro-5-(difluoromethoxy)-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1Cl
InChIInChI=1S/C4H3ClF2N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9)
InChIKeyZJOFAKMYXOTRQT-UHFFFAOYSA-N
MW168.53 g/mol
LogP1.66
Rot. Bonds2

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

4-chloro-5-(difluoromethoxy)-1H-pyrazole (PubChem CID 70340772) has the molecular formula C4H3ClF2N2O and a molecular weight of 168.53 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(difluoromethoxy)-1H-pyrazole
PubChem CID70340772
Molecular FormulaC4H3ClF2N2O
Molecular Weight168.53 g/mol
Exact Mass167.99
IUPAC Name4-chloro-5-(difluoromethoxy)-1H-pyrazole
SMILESFC(F)Oc1[nH]ncc1Cl
InChIInChI=1S/C4H3ClF2N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9)
InChIKeyZJOFAKMYXOTRQT-UHFFFAOYSA-N
XLogP1.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-4-(trifluoromethyl)-1H-pyrazole
CID 90713520
4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole
CID 90720157
4-Fluoro-3-methoxy-1H-pyrazole
CID 154089213
5-(difluoromethoxy)-4-fluoro-1H-pyrazole
CID 159770957
5-(difluoromethoxy)-4-(trifluoromethyl)-1H-pyrazole
CID 170564789
5-(difluoromethoxy)-4-iodo-1H-pyrazole
CID 171842640
5-(difluoromethoxy)-4-methyl-1H-pyrazole
CID 173141488
2-[(4-chloro-1H-pyrazol-5-yl)oxy]acetonitrile
CID 53691556
(4-chloro-1H-pyrazol-5-yl)oxymethyl thiocyanate
CID 88599882
4-Chloro-3-methoxy-1H-pyrazole
CID 91187919
4-chloro-5-ethoxy-1H-pyrazole
CID 167201043
(4-chloro-1H-pyrazol-5-yl) formate
CID 175258968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethoxy)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(difluoromethoxy)-1H-pyrazole (CID 70340772) is 4-chloro-5-(difluoromethoxy)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(difluoromethoxy)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(difluoromethoxy)-1H-pyrazole is FC(F)Oc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethoxy)-1H-pyrazole?
The InChIKey is ZJOFAKMYXOTRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2O/c5-2-1-8-9-3(2)10-4(6)7/h1,4H,(H,8,9).
What are the key properties of 4-chloro-5-(difluoromethoxy)-1H-pyrazole?
4-chloro-5-(difluoromethoxy)-1H-pyrazole has a molecular weight of 168.53 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethoxy)-1H-pyrazole is sourced from PubChem (CID 70340772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).