4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C24H18F3N3 — CID 126729682

IUPAC4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc21
InChIInChI=1S/C24H18F3N3/c1-23(2)18-6-4-3-5-16(18)17-8-7-14(11-19(17)23)15-9-10-28-20(12-15)21-13-22(30-29-21)24(25,26)27/h3-13H,1-2H3,(H,29,30)
InChIKeyVUBMMRVQOHEMPW-UHFFFAOYSA-N
MW405.42 g/mol
LogP6.46
Rot. Bonds2

About 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 126729682) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID126729682
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc21
InChIInChI=1S/C24H18F3N3/c1-23(2)18-6-4-3-5-16(18)17-8-7-14(11-19(17)23)15-9-10-28-20(12-15)21-13-22(30-29-21)24(25,26)27/h3-13H,1-2H3,(H,29,30)
InChIKeyVUBMMRVQOHEMPW-UHFFFAOYSA-N
XLogP6.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 126729682) is 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4cc(C(F)(F)F)[nH]n4)c3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is VUBMMRVQOHEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3/c1-23(2)18-6-4-3-5-16(18)17-8-7-14(11-19(17)23)15-9-10-28-20(12-15)21-13-22(30-29-21)24(25,26)27/h3-13H,1-2H3,(H,29,30).
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 405.42 g/mol, XLogP of 6.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 126729682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).