4-chloro-5-methoxy-1H-pyrazole

C4H5ClN2O — CID 91187919

IUPAC4-chloro-5-methoxy-1H-pyrazole
SMILESCOc1[nH]ncc1Cl
InChIInChI=1S/C4H5ClN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChIKeyHFBRQXYBVZAVAJ-UHFFFAOYSA-N
MW132.55 g/mol
LogP1.07
Rot. Bonds1

About 4-chloro-5-methoxy-1H-pyrazole

4-chloro-5-methoxy-1H-pyrazole (PubChem CID 91187919) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is 4-chloro-5-methoxy-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-methoxy-1H-pyrazole
PubChem CID91187919
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name4-chloro-5-methoxy-1H-pyrazole
SMILESCOc1[nH]ncc1Cl
InChIInChI=1S/C4H5ClN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7)
InChIKeyHFBRQXYBVZAVAJ-UHFFFAOYSA-N
XLogP1.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-1H-pyrazole?
The IUPAC name of 4-chloro-5-methoxy-1H-pyrazole (CID 91187919) is 4-chloro-5-methoxy-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-methoxy-1H-pyrazole?
The canonical SMILES for 4-chloro-5-methoxy-1H-pyrazole is COc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-1H-pyrazole?
The InChIKey is HFBRQXYBVZAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O/c1-8-4-3(5)2-6-7-4/h2H,1H3,(H,6,7).
What are the key properties of 4-chloro-5-methoxy-1H-pyrazole?
4-chloro-5-methoxy-1H-pyrazole has a molecular weight of 132.55 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-1H-pyrazole is sourced from PubChem (CID 91187919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).