1-cyclopentyl-4-methoxypyrazole

C9H14N2O — CID 13018408

IUPAC1-cyclopentyl-4-methoxypyrazole
SMILESCOc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H14N2O/c1-12-9-6-10-11(7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyBHFBNHUECVDCFR-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.01
Rot. Bonds2

About 1-cyclopentyl-4-methoxypyrazole

1-cyclopentyl-4-methoxypyrazole (PubChem CID 13018408) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyclopentyl-4-methoxypyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-methoxypyrazole
PubChem CID13018408
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-cyclopentyl-4-methoxypyrazole
SMILESCOc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H14N2O/c1-12-9-6-10-11(7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyBHFBNHUECVDCFR-UHFFFAOYSA-N
XLogP2.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methoxypyrazole?
The IUPAC name of 1-cyclopentyl-4-methoxypyrazole (CID 13018408) is 1-cyclopentyl-4-methoxypyrazole.
What is the SMILES notation for 1-cyclopentyl-4-methoxypyrazole?
The canonical SMILES for 1-cyclopentyl-4-methoxypyrazole is COc1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-4-methoxypyrazole?
The InChIKey is BHFBNHUECVDCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-9-6-10-11(7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-4-methoxypyrazole?
1-cyclopentyl-4-methoxypyrazole has a molecular weight of 166.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methoxypyrazole is sourced from PubChem (CID 13018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).