3-(cyclopropylmethoxy)-1-methylpyrazole

C8H12N2O — CID 121263537

IUPAC3-(cyclopropylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-10-5-4-8(9-10)11-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMVAHXCSYXRBRPH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.21
Rot. Bonds3

About 3-(cyclopropylmethoxy)-1-methylpyrazole

3-(cyclopropylmethoxy)-1-methylpyrazole (PubChem CID 121263537) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-methylpyrazole
PubChem CID121263537
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(cyclopropylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-10-5-4-8(9-10)11-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyMVAHXCSYXRBRPH-UHFFFAOYSA-N
XLogP1.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-methylpyrazole?
The IUPAC name of 3-(cyclopropylmethoxy)-1-methylpyrazole (CID 121263537) is 3-(cyclopropylmethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-methylpyrazole is Cn1ccc(OCC2CC2)n1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-methylpyrazole?
The InChIKey is MVAHXCSYXRBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-5-4-8(9-10)11-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-methylpyrazole?
3-(cyclopropylmethoxy)-1-methylpyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-methylpyrazole is sourced from PubChem (CID 121263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).