5-cyclopropyl-1-methylpyrazole

C7H10N2 — CID 25247754

IUPAC5-cyclopropyl-1-methylpyrazole
SMILESCn1nccc1C1CC1
InChIInChI=1S/C7H10N2/c1-9-7(4-5-8-9)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeySTJGYRNNFVLOBF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.30
Rot. Bonds1

About 5-cyclopropyl-1-methylpyrazole

5-cyclopropyl-1-methylpyrazole (PubChem CID 25247754) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-cyclopropyl-1-methylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-methylpyrazole
PubChem CID25247754
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-cyclopropyl-1-methylpyrazole
SMILESCn1nccc1C1CC1
InChIInChI=1S/C7H10N2/c1-9-7(4-5-8-9)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeySTJGYRNNFVLOBF-UHFFFAOYSA-N
XLogP1.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methylpyrazole?
The IUPAC name of 5-cyclopropyl-1-methylpyrazole (CID 25247754) is 5-cyclopropyl-1-methylpyrazole.
What is the SMILES notation for 5-cyclopropyl-1-methylpyrazole?
The canonical SMILES for 5-cyclopropyl-1-methylpyrazole is Cn1nccc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methylpyrazole?
The InChIKey is STJGYRNNFVLOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-7(4-5-8-9)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-1-methylpyrazole?
5-cyclopropyl-1-methylpyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methylpyrazole is sourced from PubChem (CID 25247754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).