1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole

C12H17F3N2O — CID 122171879

IUPAC1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
SMILESFC(F)(F)CCOCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-8-18-9-10-5-7-17(16-10)11-3-1-2-4-11/h5,7,11H,1-4,6,8-9H2
InChIKeyNVVPFZMZLDRPLV-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.47
Rot. Bonds5

About 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole

1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole (PubChem CID 122171879) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
PubChem CID122171879
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
SMILESFC(F)(F)CCOCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-8-18-9-10-5-7-17(16-10)11-3-1-2-4-11/h5,7,11H,1-4,6,8-9H2
InChIKeyNVVPFZMZLDRPLV-UHFFFAOYSA-N
XLogP3.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 64785741
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 64783422
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylbutan-2-amine
CID 64785357
1-ethyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171870
[1-(1-cyclopentylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217560
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole (CID 122171879) is 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole is FC(F)(F)CCOCc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole?
The InChIKey is NVVPFZMZLDRPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)6-8-18-9-10-5-7-17(16-10)11-3-1-2-4-11/h5,7,11H,1-4,6,8-9H2.
What are the key properties of 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole?
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole has a molecular weight of 262.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole is sourced from PubChem (CID 122171879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).