4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

C50H52N8 — CID 144962030

IUPAC4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2cc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)ccc2c1
InChIInChI=1S/2C25H26N4/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-2-4-23-15-20(5-6-21(23)3-1)16-24-17-27-28-25(24)22-9-13-29(14-10-22)18-19-7-11-26-12-8-19/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);1-8,11-12,15,17,22H,9-10,13-14,16,18H2,(H,27,28)
InChIKeyVCXBMUHGTZKCOR-UHFFFAOYSA-N
MW765.02 g/mol
LogP9.86
Rot. Bonds10

About 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine

4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 144962030) has the molecular formula C50H52N8 and a molecular weight of 765.02 g/mol. Its IUPAC name is 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
PubChem CID144962030
Molecular FormulaC50H52N8
Molecular Weight765.02 g/mol
Exact Mass764.43
IUPAC Name4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2cc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)ccc2c1
InChIInChI=1S/2C25H26N4/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-2-4-23-15-20(5-6-21(23)3-1)16-24-17-27-28-25(24)22-9-13-29(14-10-22)18-19-7-11-26-12-8-19/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);1-8,11-12,15,17,22H,9-10,13-14,16,18H2,(H,27,28)
InChIKeyVCXBMUHGTZKCOR-UHFFFAOYSA-N
XLogP9.86
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
CID 10293214
16,16-bis(1H-pyrazol-5-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 15195253
2-phenyl-3-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]quinoxaline
CID 44450004
4-(5-(naphthalen-2-yl)-1H-pyrazol-4-yl)pyridine
CID 53469858
7-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-4,5-dihydro-2H-benzo[g]indazole
CID 54586536
7-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-4,5-dihydro-2H-benzo[e]indazole
CID 54587568
9-(4-(1H-pyrazol-5-yl)phenyl)-2,7-phenanthroline
CID 44444012
3-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
CID 9800143
3-[5-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
CID 44213646
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
5,10,15-Tris(1-methylpyridin-1-ium-4-yl)-20-pyren-1-yl-21,22,23,24-tetrahydroporphyrin
CID 91204185
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (CID 144962030) is 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is c1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2cc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)ccc2c1.
What is the InChIKey of 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is VCXBMUHGTZKCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N4/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-2-4-23-15-20(5-6-21(23)3-1)16-24-17-27-28-25(24)22-9-13-29(14-10-22)18-19-7-11-26-12-8-19/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);1-8,11-12,15,17,22H,9-10,13-14,16,18H2,(H,27,28).
What are the key properties of 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 765.02 g/mol, XLogP of 9.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;4-[[4-[4-(naphthalen-2-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 144962030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).