1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

C25H23Cl2N3 — CID 4318406

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESClc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H23Cl2N3/c26-22-9-4-10-23(27)21(22)16-30-13-11-18(12-14-30)24-15-25(29-28-24)20-8-3-6-17-5-1-2-7-19(17)20/h1-10,15,18H,11-14,16H2,(H,28,29)
InChIKeyVTALGSJBDKQOPS-UHFFFAOYSA-N
MW436.39 g/mol
LogP6.92
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 4318406) has the molecular formula C25H23Cl2N3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
PubChem CID4318406
Molecular FormulaC25H23Cl2N3
Molecular Weight436.39 g/mol
Exact Mass435.13
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESClc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H23Cl2N3/c26-22-9-4-10-23(27)21(22)16-30-13-11-18(12-14-30)24-15-25(29-28-24)20-8-3-6-17-5-1-2-7-19(17)20/h1-10,15,18H,11-14,16H2,(H,28,29)
InChIKeyVTALGSJBDKQOPS-UHFFFAOYSA-N
XLogP6.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 91832881
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
1-azabicyclo[2.2.2]octan-2-yl-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 138808918
2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
CID 177177193
4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
1-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoquinoline
CID 171999220
2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
CID 22911520
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
CID 126429602
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177245
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 56720560

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (CID 4318406) is 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is Clc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is VTALGSJBDKQOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3/c26-22-9-4-10-23(27)21(22)16-30-13-11-18(12-14-30)24-15-25(29-28-24)20-8-3-6-17-5-1-2-7-19(17)20/h1-10,15,18H,11-14,16H2,(H,28,29).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 436.39 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 4318406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).