1-cyclobutylpyrazole

C7H10N2 — CID 77231406

IUPAC1-cyclobutylpyrazole
SMILESc1cnn(C2CCC2)c1
InChIInChI=1S/C7H10N2/c1-3-7(4-1)9-6-2-5-8-9/h2,5-7H,1,3-4H2
InChIKeyAXWRKAANHAVLRK-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.61
Rot. Bonds1

About 1-cyclobutylpyrazole

1-cyclobutylpyrazole (PubChem CID 77231406) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-cyclobutylpyrazole.

Molecular Properties

Compound Name1-cyclobutylpyrazole
PubChem CID77231406
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-cyclobutylpyrazole
SMILESc1cnn(C2CCC2)c1
InChIInChI=1S/C7H10N2/c1-3-7(4-1)9-6-2-5-8-9/h2,5-7H,1,3-4H2
InChIKeyAXWRKAANHAVLRK-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrazole?
The IUPAC name of 1-cyclobutylpyrazole (CID 77231406) is 1-cyclobutylpyrazole.
What is the SMILES notation for 1-cyclobutylpyrazole?
The canonical SMILES for 1-cyclobutylpyrazole is c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrazole?
The InChIKey is AXWRKAANHAVLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-7(4-1)9-6-2-5-8-9/h2,5-7H,1,3-4H2.
What are the key properties of 1-cyclobutylpyrazole?
1-cyclobutylpyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrazole is sourced from PubChem (CID 77231406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).