1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole

C9H11F3N2 — CID 176717597

IUPAC1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CCC2)c1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-5-13-14(7-3-2-4-7)8(6)9(10,11)12/h5,7H,2-4H2,1H3
InChIKeyTULGYSXDMIQMCI-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.94
Rot. Bonds1

About 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole

1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 176717597) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
PubChem CID176717597
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CCC2)c1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-5-13-14(7-3-2-4-7)8(6)9(10,11)12/h5,7H,2-4H2,1H3
InChIKeyTULGYSXDMIQMCI-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole (CID 176717597) is 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole is Cc1cnn(C2CCC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is TULGYSXDMIQMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-6-5-13-14(7-3-2-4-7)8(6)9(10,11)12/h5,7H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole?
1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 204.19 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 176717597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).