3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole

C13H9F3N2 — CID 172852374

IUPAC3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole
SMILESFC(F)(F)c1ccc(-c2c[nH]n3cccc23)cc1
InChIInChI=1S/C13H9F3N2/c14-13(15,16)10-5-3-9(4-6-10)11-8-17-18-7-1-2-12(11)18/h1-8,17H
InChIKeyYFWKEJBDTAURQB-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.95
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole

3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole (PubChem CID 172852374) has the molecular formula C13H9F3N2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole
PubChem CID172852374
Molecular FormulaC13H9F3N2
Molecular Weight250.22 g/mol
Exact Mass250.07
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole
SMILESFC(F)(F)c1ccc(-c2c[nH]n3cccc23)cc1
InChIInChI=1S/C13H9F3N2/c14-13(15,16)10-5-3-9(4-6-10)11-8-17-18-7-1-2-12(11)18/h1-8,17H
InChIKeyYFWKEJBDTAURQB-UHFFFAOYSA-N
XLogP3.95
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole (CID 172852374) is 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole is FC(F)(F)c1ccc(-c2c[nH]n3cccc23)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole?
The InChIKey is YFWKEJBDTAURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2/c14-13(15,16)10-5-3-9(4-6-10)11-8-17-18-7-1-2-12(11)18/h1-8,17H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole?
3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole has a molecular weight of 250.22 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 172852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).