5-propan-2-yl-3H-pyrazole

C6H10N2 — CID 59771329

IUPAC5-propan-2-yl-3H-pyrazole
SMILESCC(C)C1=CCN=N1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3,5H,4H2,1-2H3
InChIKeyNBZLTEZTYFLMPN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.99
Rot. Bonds1

About 5-propan-2-yl-3H-pyrazole

5-propan-2-yl-3H-pyrazole (PubChem CID 59771329) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-propan-2-yl-3H-pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-3H-pyrazole
PubChem CID59771329
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5-propan-2-yl-3H-pyrazole
SMILESCC(C)C1=CCN=N1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3,5H,4H2,1-2H3
InChIKeyNBZLTEZTYFLMPN-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3H-pyrazole?
The IUPAC name of 5-propan-2-yl-3H-pyrazole (CID 59771329) is 5-propan-2-yl-3H-pyrazole.
What is the SMILES notation for 5-propan-2-yl-3H-pyrazole?
The canonical SMILES for 5-propan-2-yl-3H-pyrazole is CC(C)C1=CCN=N1.
What is the InChIKey of 5-propan-2-yl-3H-pyrazole?
The InChIKey is NBZLTEZTYFLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3,5H,4H2,1-2H3.
What are the key properties of 5-propan-2-yl-3H-pyrazole?
5-propan-2-yl-3H-pyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3H-pyrazole is sourced from PubChem (CID 59771329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).