3-cyclopropyl-1-methylpyrazole

C7H10N2 — CID 23300060

IUPAC3-cyclopropyl-1-methylpyrazole
SMILESCn1ccc(C2CC2)n1
InChIInChI=1S/C7H10N2/c1-9-5-4-7(8-9)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeySLCCNZAJZZHXSD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.30
Rot. Bonds1

About 3-cyclopropyl-1-methylpyrazole

3-cyclopropyl-1-methylpyrazole (PubChem CID 23300060) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-cyclopropyl-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-methylpyrazole
PubChem CID23300060
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-cyclopropyl-1-methylpyrazole
SMILESCn1ccc(C2CC2)n1
InChIInChI=1S/C7H10N2/c1-9-5-4-7(8-9)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeySLCCNZAJZZHXSD-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 3-cyclopropyl-1-methylpyrazole?
The IUPAC name of 3-cyclopropyl-1-methylpyrazole (CID 23300060) is 3-cyclopropyl-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-1-methylpyrazole is Cn1ccc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-methylpyrazole?
The InChIKey is SLCCNZAJZZHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-5-4-7(8-9)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-1-methylpyrazole?
3-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 3-cyclopropyl-1-methylpyrazole is sourced from PubChem (CID 23300060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).