4-chloro-5-(methoxymethyl)-1-methylpyrazole

C6H9ClN2O — CID 19779911

IUPAC4-chloro-5-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1c(Cl)cnn1C
InChIInChI=1S/C6H9ClN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3
InChIKeyUPDJMVUWWQSWGW-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.22
Rot. Bonds2

About 4-chloro-5-(methoxymethyl)-1-methylpyrazole

4-chloro-5-(methoxymethyl)-1-methylpyrazole (PubChem CID 19779911) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 4-chloro-5-(methoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(methoxymethyl)-1-methylpyrazole
PubChem CID19779911
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name4-chloro-5-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1c(Cl)cnn1C
InChIInChI=1S/C6H9ClN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3
InChIKeyUPDJMVUWWQSWGW-UHFFFAOYSA-N
XLogP1.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(methoxymethyl)-1-methylpyrazole?
The IUPAC name of 4-chloro-5-(methoxymethyl)-1-methylpyrazole (CID 19779911) is 4-chloro-5-(methoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-5-(methoxymethyl)-1-methylpyrazole?
The canonical SMILES for 4-chloro-5-(methoxymethyl)-1-methylpyrazole is COCc1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-5-(methoxymethyl)-1-methylpyrazole?
The InChIKey is UPDJMVUWWQSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3.
What are the key properties of 4-chloro-5-(methoxymethyl)-1-methylpyrazole?
4-chloro-5-(methoxymethyl)-1-methylpyrazole has a molecular weight of 160.60 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(methoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 19779911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).