1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole

C14H10F3N3 — CID 58725727

IUPAC1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole
SMILESFC(F)(F)c1cc[nH]c1-c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-5-7-18-13(12)10-3-1-4-11(9-10)20-8-2-6-19-20/h1-9,18H
InChIKeyFSQMEOVVWCJQPZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.89
Rot. Bonds2

About 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole

1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole (PubChem CID 58725727) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole
PubChem CID58725727
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole
SMILESFC(F)(F)c1cc[nH]c1-c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-5-7-18-13(12)10-3-1-4-11(9-10)20-8-2-6-19-20/h1-9,18H
InChIKeyFSQMEOVVWCJQPZ-UHFFFAOYSA-N
XLogP3.89
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole?
The IUPAC name of 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole (CID 58725727) is 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole.
What is the SMILES notation for 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole?
The canonical SMILES for 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole is FC(F)(F)c1cc[nH]c1-c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole?
The InChIKey is FSQMEOVVWCJQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)12-5-7-18-13(12)10-3-1-4-11(9-10)20-8-2-6-19-20/h1-9,18H.
What are the key properties of 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole?
1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole has a molecular weight of 277.25 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(trifluoromethyl)-1H-pyrrol-2-yl]phenyl]pyrazole is sourced from PubChem (CID 58725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).