4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine

C20H24ClN5 — CID 56744086

IUPAC4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1[nH]nc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H24ClN5/c1-14-19(21)18(24-23-14)13-26-9-7-16(8-10-26)20-17(12-22-25-20)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyATKAZSWRLKXPRU-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.07
Rot. Bonds5

About 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine

4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine (PubChem CID 56744086) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine
PubChem CID56744086
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1[nH]nc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H24ClN5/c1-14-19(21)18(24-23-14)13-26-9-7-16(8-10-26)20-17(12-22-25-20)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyATKAZSWRLKXPRU-UHFFFAOYSA-N
XLogP4.07
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine with MolForge

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Related Compounds

4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine
CID 129132926
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine
CID 123802708
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-bis(methylsulfonyl)pyridine
CID 129141016
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
CID 56855128
(1R,5S)-3-benzyl-6-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74240576
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2,2-dimethyloxan-4-yl)methanone
CID 126463692
(6R)-1-benzyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-6-ol
CID 97435583
(3S,4S)-4-benzyl-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113654
[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 56754434
2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
CID 56722746

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine (CID 56744086) is 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine is Cc1[nH]nc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c1Cl.
What is the InChIKey of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The InChIKey is ATKAZSWRLKXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-14-19(21)18(24-23-14)13-26-9-7-16(8-10-26)20-17(12-22-25-20)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine has a molecular weight of 369.90 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 56744086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).