4-methoxy-1H-pyrazole;hydrochloride

C4H7ClN2O — CID 122156610

IUPAC4-methoxy-1H-pyrazole;hydrochloride
SMILESCOc1cn[nH]c1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-7-4-2-5-6-3-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyOJHNPQOWQLMQKR-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.84
Rot. Bonds1

About 4-methoxy-1H-pyrazole;hydrochloride

4-methoxy-1H-pyrazole;hydrochloride (PubChem CID 122156610) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is 4-methoxy-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-methoxy-1H-pyrazole;hydrochloride
PubChem CID122156610
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC Name4-methoxy-1H-pyrazole;hydrochloride
SMILESCOc1cn[nH]c1.Cl
InChIInChI=1S/C4H6N2O.ClH/c1-7-4-2-5-6-3-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyOJHNPQOWQLMQKR-UHFFFAOYSA-N
XLogP0.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyrazole;hydrochloride?
The IUPAC name of 4-methoxy-1H-pyrazole;hydrochloride (CID 122156610) is 4-methoxy-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-methoxy-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-methoxy-1H-pyrazole;hydrochloride is COc1cn[nH]c1.Cl.
What is the InChIKey of 4-methoxy-1H-pyrazole;hydrochloride?
The InChIKey is OJHNPQOWQLMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH/c1-7-4-2-5-6-3-4;/h2-3H,1H3,(H,5,6);1H.
What are the key properties of 4-methoxy-1H-pyrazole;hydrochloride?
4-methoxy-1H-pyrazole;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyrazole;hydrochloride is sourced from PubChem (CID 122156610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).