methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate

C7H9ClN2O3 — CID 170985573

IUPACmethyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(Cl)c(OC)nn1C
InChIInChI=1S/C7H9ClN2O3/c1-10-5(7(11)13-3)4(8)6(9-10)12-2/h1-3H3
InChIKeyGSALIIRFZYTQDQ-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.87
Rot. Bonds2

About methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate

methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate (PubChem CID 170985573) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate
PubChem CID170985573
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Namemethyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(Cl)c(OC)nn1C
InChIInChI=1S/C7H9ClN2O3/c1-10-5(7(11)13-3)4(8)6(9-10)12-2/h1-3H3
InChIKeyGSALIIRFZYTQDQ-UHFFFAOYSA-N
XLogP0.87
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate (CID 170985573) is methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate is COC(=O)c1c(Cl)c(OC)nn1C.
What is the InChIKey of methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate?
The InChIKey is GSALIIRFZYTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-10-5(7(11)13-3)4(8)6(9-10)12-2/h1-3H3.
What are the key properties of methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate?
methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate has a molecular weight of 204.61 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-methoxy-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 170985573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).