3-cyclopentyl-1-methylpyrazole

C9H14N2 — CID 23300003

IUPAC3-cyclopentyl-1-methylpyrazole
SMILESCn1ccc(C2CCCC2)n1
InChIInChI=1S/C9H14N2/c1-11-7-6-9(10-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyMXKKHEPJIXTRBU-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.08
Rot. Bonds1

About 3-cyclopentyl-1-methylpyrazole

3-cyclopentyl-1-methylpyrazole (PubChem CID 23300003) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-cyclopentyl-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopentyl-1-methylpyrazole
PubChem CID23300003
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-cyclopentyl-1-methylpyrazole
SMILESCn1ccc(C2CCCC2)n1
InChIInChI=1S/C9H14N2/c1-11-7-6-9(10-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyMXKKHEPJIXTRBU-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methylpyrazole?
The IUPAC name of 3-cyclopentyl-1-methylpyrazole (CID 23300003) is 3-cyclopentyl-1-methylpyrazole.
What is the SMILES notation for 3-cyclopentyl-1-methylpyrazole?
The canonical SMILES for 3-cyclopentyl-1-methylpyrazole is Cn1ccc(C2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-1-methylpyrazole?
The InChIKey is MXKKHEPJIXTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-7-6-9(10-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-1-methylpyrazole?
3-cyclopentyl-1-methylpyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methylpyrazole is sourced from PubChem (CID 23300003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).