4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine

C35H25F4N7 — CID 18629289

IUPAC4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccncc2)c1.Fc1ccc(-c2n[nH]c(-c3ccncc3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H13FN4.C16H12F3N3/c20-16-3-1-14(2-4-16)18-17(13-5-9-21-10-6-13)19(24-23-18)15-7-11-22-12-8-15;1-10-3-2-4-12(9-10)14-13(11-5-7-20-8-6-11)15(22-21-14)16(17,18)19/h1-12H,(H,23,24);2-9H,1H3,(H,21,22)
InChIKeyUCGJVVJWMRNEQZ-UHFFFAOYSA-N
MW619.63 g/mol
LogP8.81
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 18629289) has the molecular formula C35H25F4N7 and a molecular weight of 619.63 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
PubChem CID18629289
Molecular FormulaC35H25F4N7
Molecular Weight619.63 g/mol
Exact Mass619.21
IUPAC Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccncc2)c1.Fc1ccc(-c2n[nH]c(-c3ccncc3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H13FN4.C16H12F3N3/c20-16-3-1-14(2-4-16)18-17(13-5-9-21-10-6-13)19(24-23-18)15-7-11-22-12-8-15;1-10-3-2-4-12(9-10)14-13(11-5-7-20-8-6-11)15(22-21-14)16(17,18)19/h1-12H,(H,23,24);2-9H,1H3,(H,21,22)
InChIKeyUCGJVVJWMRNEQZ-UHFFFAOYSA-N
XLogP8.81
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.63
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine (CID 18629289) is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine is Cc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccncc2)c1.Fc1ccc(-c2n[nH]c(-c3ccncc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is UCGJVVJWMRNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4.C16H12F3N3/c20-16-3-1-14(2-4-16)18-17(13-5-9-21-10-6-13)19(24-23-18)15-7-11-22-12-8-15;1-10-3-2-4-12(9-10)14-13(11-5-7-20-8-6-11)15(22-21-14)16(17,18)19/h1-12H,(H,23,24);2-9H,1H3,(H,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 619.63 g/mol, XLogP of 8.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]pyridine;4-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 18629289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).