4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole

C10H13F3N2 — CID 118153106

IUPAC4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-6-8(7-4-2-3-5-7)9(15-14-6)10(11,12)13/h7H,2-5H2,1H3,(H,14,15)
InChIKeyDWSYVKVKXVXKAE-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.39
Rot. Bonds1

About 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole

4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 118153106) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID118153106
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-6-8(7-4-2-3-5-7)9(15-14-6)10(11,12)13/h7H,2-5H2,1H3,(H,14,15)
InChIKeyDWSYVKVKXVXKAE-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CID 118153106) is 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(C(F)(F)F)c1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is DWSYVKVKXVXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6-8(7-4-2-3-5-7)9(15-14-6)10(11,12)13/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 218.22 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 118153106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).