1-propan-2-ylpyrazole

C6H10N2 — CID 13469816

IUPAC1-propan-2-ylpyrazole
SMILESCC(C)n1cccn1
InChIInChI=1S/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3
InChIKeyANMVTDVBEDVFRB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.46
Rot. Bonds1

About 1-propan-2-ylpyrazole

1-propan-2-ylpyrazole (PubChem CID 13469816) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-propan-2-ylpyrazole
PubChem CID13469816
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-propan-2-ylpyrazole
SMILESCC(C)n1cccn1
InChIInChI=1S/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3
InChIKeyANMVTDVBEDVFRB-UHFFFAOYSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole?
The IUPAC name of 1-propan-2-ylpyrazole (CID 13469816) is 1-propan-2-ylpyrazole.
What is the SMILES notation for 1-propan-2-ylpyrazole?
The canonical SMILES for 1-propan-2-ylpyrazole is CC(C)n1cccn1.
What is the InChIKey of 1-propan-2-ylpyrazole?
The InChIKey is ANMVTDVBEDVFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3.
What are the key properties of 1-propan-2-ylpyrazole?
1-propan-2-ylpyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole is sourced from PubChem (CID 13469816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).