1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole

C16H20N2O — CID 117234055

IUPAC1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
SMILESCc1ccccc1COc1cnn(C2CCCC2)c1
InChIInChI=1S/C16H20N2O/c1-13-6-2-3-7-14(13)12-19-16-10-17-18(11-16)15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3
InChIKeyRATPWSVFTDRXBV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.89
Rot. Bonds4

About 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole

1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole (PubChem CID 117234055) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
PubChem CID117234055
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
SMILESCc1ccccc1COc1cnn(C2CCCC2)c1
InChIInChI=1S/C16H20N2O/c1-13-6-2-3-7-14(13)12-19-16-10-17-18(11-16)15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3
InChIKeyRATPWSVFTDRXBV-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole?
The IUPAC name of 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole (CID 117234055) is 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole?
The canonical SMILES for 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole is Cc1ccccc1COc1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole?
The InChIKey is RATPWSVFTDRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-6-2-3-7-14(13)12-19-16-10-17-18(11-16)15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole?
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole has a molecular weight of 256.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole is sourced from PubChem (CID 117234055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).