1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

C22H25N3 — CID 42165171

IUPAC1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1ccccc1-c1cn[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3/c1-17-7-5-6-10-20(17)21-15-23-24-22(21)19-11-13-25(14-12-19)16-18-8-3-2-4-9-18/h2-10,15,19H,11-14,16H2,1H3,(H,23,24)
InChIKeyYIHNDXIIGXNESZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.76
Rot. Bonds4

About 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine

1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 42165171) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID42165171
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1ccccc1-c1cn[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3/c1-17-7-5-6-10-20(17)21-15-23-24-22(21)19-11-13-25(14-12-19)16-18-8-3-2-4-9-18/h2-10,15,19H,11-14,16H2,1H3,(H,23,24)
InChIKeyYIHNDXIIGXNESZ-UHFFFAOYSA-N
XLogP4.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801
3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70736621
1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42164961
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine
CID 56744086
N-[2-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56741070
[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 92584441
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine
CID 129132926
[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 56744089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 42165171) is 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1ccccc1-c1cn[nH]c1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is YIHNDXIIGXNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-7-5-6-10-20(17)21-15-23-24-22(21)19-11-13-25(14-12-19)16-18-8-3-2-4-9-18/h2-10,15,19H,11-14,16H2,1H3,(H,23,24).
What are the key properties of 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine?
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 42165171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).