4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C20H15F3N4 — CID 126729679

IUPAC4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2cc(-c3cccn3Cc3ccccc3)ccn2)n[nH]1
InChIInChI=1S/C20H15F3N4/c21-20(22,23)19-12-17(25-26-19)16-11-15(8-9-24-16)18-7-4-10-27(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,26)
InChIKeyISGCHNPWNNUIKD-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.01
Rot. Bonds4

About 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 126729679) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID126729679
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2cc(-c3cccn3Cc3ccccc3)ccn2)n[nH]1
InChIInChI=1S/C20H15F3N4/c21-20(22,23)19-12-17(25-26-19)16-11-15(8-9-24-16)18-7-4-10-27(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,26)
InChIKeyISGCHNPWNNUIKD-UHFFFAOYSA-N
XLogP5.01
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 126729679) is 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2cc(-c3cccn3Cc3ccccc3)ccn2)n[nH]1.
What is the InChIKey of 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is ISGCHNPWNNUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c21-20(22,23)19-12-17(25-26-19)16-11-15(8-9-24-16)18-7-4-10-27(18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,26).
What are the key properties of 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 368.36 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 126729679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).