3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole

C8H10F3N3 — CID 56965582

IUPAC3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(N2CCCC2)n[nH]1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)6-5-7(13-12-6)14-3-1-2-4-14/h5H,1-4H2,(H,12,13)
InChIKeyZHCLWRXMJFUHMC-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds1

About 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole

3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 56965582) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID56965582
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(N2CCCC2)n[nH]1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)6-5-7(13-12-6)14-3-1-2-4-14/h5H,1-4H2,(H,12,13)
InChIKeyZHCLWRXMJFUHMC-UHFFFAOYSA-N
XLogP2.03
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole (CID 56965582) is 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(N2CCCC2)n[nH]1.
What is the InChIKey of 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ZHCLWRXMJFUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)6-5-7(13-12-6)14-3-1-2-4-14/h5H,1-4H2,(H,12,13).
What are the key properties of 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole?
3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 205.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 56965582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).