1-cyclopropyl-4-methoxy-3-methylpyrazole

C8H12N2O — CID 170591721

IUPAC1-cyclopropyl-4-methoxy-3-methylpyrazole
SMILESCOc1cn(C2CC2)nc1C
InChIInChI=1S/C8H12N2O/c1-6-8(11-2)5-10(9-6)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyUXMNRNKKMAPIMZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.54
Rot. Bonds2

About 1-cyclopropyl-4-methoxy-3-methylpyrazole

1-cyclopropyl-4-methoxy-3-methylpyrazole (PubChem CID 170591721) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-cyclopropyl-4-methoxy-3-methylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-methoxy-3-methylpyrazole
PubChem CID170591721
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-cyclopropyl-4-methoxy-3-methylpyrazole
SMILESCOc1cn(C2CC2)nc1C
InChIInChI=1S/C8H12N2O/c1-6-8(11-2)5-10(9-6)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyUXMNRNKKMAPIMZ-UHFFFAOYSA-N
XLogP1.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methoxy-3-methylpyrazole?
The IUPAC name of 1-cyclopropyl-4-methoxy-3-methylpyrazole (CID 170591721) is 1-cyclopropyl-4-methoxy-3-methylpyrazole.
What is the SMILES notation for 1-cyclopropyl-4-methoxy-3-methylpyrazole?
The canonical SMILES for 1-cyclopropyl-4-methoxy-3-methylpyrazole is COc1cn(C2CC2)nc1C.
What is the InChIKey of 1-cyclopropyl-4-methoxy-3-methylpyrazole?
The InChIKey is UXMNRNKKMAPIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-8(11-2)5-10(9-6)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methoxy-3-methylpyrazole?
1-cyclopropyl-4-methoxy-3-methylpyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methoxy-3-methylpyrazole is sourced from PubChem (CID 170591721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).