1-pentan-3-ylpyrazole

C8H14N2 — CID 61272281

IUPAC1-pentan-3-ylpyrazole
SMILESCCC(CC)n1cccn1
InChIInChI=1S/C8H14N2/c1-3-8(4-2)10-7-5-6-9-10/h5-8H,3-4H2,1-2H3
InChIKeyKCZANJXDZAFROI-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.24
Rot. Bonds3

About 1-pentan-3-ylpyrazole

1-pentan-3-ylpyrazole (PubChem CID 61272281) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-pentan-3-ylpyrazole.

Molecular Properties

Compound Name1-pentan-3-ylpyrazole
PubChem CID61272281
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-pentan-3-ylpyrazole
SMILESCCC(CC)n1cccn1
InChIInChI=1S/C8H14N2/c1-3-8(4-2)10-7-5-6-9-10/h5-8H,3-4H2,1-2H3
InChIKeyKCZANJXDZAFROI-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylpyrazole?
The IUPAC name of 1-pentan-3-ylpyrazole (CID 61272281) is 1-pentan-3-ylpyrazole.
What is the SMILES notation for 1-pentan-3-ylpyrazole?
The canonical SMILES for 1-pentan-3-ylpyrazole is CCC(CC)n1cccn1.
What is the InChIKey of 1-pentan-3-ylpyrazole?
The InChIKey is KCZANJXDZAFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(4-2)10-7-5-6-9-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-pentan-3-ylpyrazole?
1-pentan-3-ylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylpyrazole is sourced from PubChem (CID 61272281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).