4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

C47H41F4N9 — CID 157214415

IUPAC4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESCCC1=NNCC1(c1ccccc1)c1ccncc1.Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1.Cc1[nH]nc(-c2cccc(F)c2)c1-c1ccncc1
InChIInChI=1S/C16H12F3N3.C16H17N3.C15H12FN3/c1-10-14(11-5-7-20-8-6-11)15(22-21-10)12-3-2-4-13(9-12)16(17,18)19;1-2-15-16(12-18-19-15,13-6-4-3-5-7-13)14-8-10-17-11-9-14;1-10-14(11-5-7-17-8-6-11)15(19-18-10)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,21,22);3-11,18H,2,12H2,1H3;2-9H,1H3,(H,18,19)
InChIKeyASGGBXJMWOWYGO-UHFFFAOYSA-N
MW807.90 g/mol
LogP10.79
Rot. Bonds7

About 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 157214415) has the molecular formula C47H41F4N9 and a molecular weight of 807.90 g/mol. Its IUPAC name is 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
PubChem CID157214415
Molecular FormulaC47H41F4N9
Molecular Weight807.90 g/mol
Exact Mass807.34
IUPAC Name4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESCCC1=NNCC1(c1ccccc1)c1ccncc1.Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1.Cc1[nH]nc(-c2cccc(F)c2)c1-c1ccncc1
InChIInChI=1S/C16H12F3N3.C16H17N3.C15H12FN3/c1-10-14(11-5-7-20-8-6-11)15(22-21-10)12-3-2-4-13(9-12)16(17,18)19;1-2-15-16(12-18-19-15,13-6-4-3-5-7-13)14-8-10-17-11-9-14;1-10-14(11-5-7-17-8-6-11)15(19-18-10)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,21,22);3-11,18H,2,12H2,1H3;2-9H,1H3,(H,18,19)
InChIKeyASGGBXJMWOWYGO-UHFFFAOYSA-N
XLogP10.79
TPSA120.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.90
LogP ≤ 510.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine with MolForge

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
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4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
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4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953832
4-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)-1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidine
CID 44562563
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137117041
iridium(3+);2-(1H-pyrazol-5-yl)pyridine;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;bis(2-(3,4,5-trifluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine)
CID 162405828
3-[3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]propyl]pyridine
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7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-phenyl-1,2,3,5,6,8a-hexahydroindolizine
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7-[4-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (CID 157214415) is 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is CCC1=NNCC1(c1ccccc1)c1ccncc1.Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1.Cc1[nH]nc(-c2cccc(F)c2)c1-c1ccncc1.
What is the InChIKey of 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is ASGGBXJMWOWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3.C16H17N3.C15H12FN3/c1-10-14(11-5-7-20-8-6-11)15(22-21-10)12-3-2-4-13(9-12)16(17,18)19;1-2-15-16(12-18-19-15,13-6-4-3-5-7-13)14-8-10-17-11-9-14;1-10-14(11-5-7-17-8-6-11)15(19-18-10)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,21,22);3-11,18H,2,12H2,1H3;2-9H,1H3,(H,18,19).
What are the key properties of 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 807.90 g/mol, XLogP of 10.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-phenyl-1,5-dihydropyrazol-4-yl)pyridine;4-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine;4-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 157214415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).