[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone

C28H42N4O2 — CID 142799328

IUPAC[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
SMILESCCN(Cc1ccc(N2N=CCC2CC2(O)CCN(C(=O)C3CC3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C28H42N4O2/c1-2-30(24-6-4-3-5-7-24)21-22-8-12-25(13-9-22)32-26(14-17-29-32)20-28(34)15-18-31(19-16-28)27(33)23-10-11-23/h8-9,12-13,17,23-24,26,34H,2-7,10-11,14-16,18-21H2,1H3
InChIKeyLWWIUNYLTNYNCN-UHFFFAOYSA-N
MW466.67 g/mol
LogP4.56
Rot. Bonds8

About [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone

[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone (PubChem CID 142799328) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
PubChem CID142799328
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Name[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
SMILESCCN(Cc1ccc(N2N=CCC2CC2(O)CCN(C(=O)C3CC3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C28H42N4O2/c1-2-30(24-6-4-3-5-7-24)21-22-8-12-25(13-9-22)32-26(14-17-29-32)20-28(34)15-18-31(19-16-28)27(33)23-10-11-23/h8-9,12-13,17,23-24,26,34H,2-7,10-11,14-16,18-21H2,1H3
InChIKeyLWWIUNYLTNYNCN-UHFFFAOYSA-N
XLogP4.56
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799362
cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799352
cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
cyclopropyl-[4-[[2-[4-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 142799492
cyclopropyl-[4-hydroxy-4-[[2-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799310
cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 151173158
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone (CID 142799328) is [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone is CCN(Cc1ccc(N2N=CCC2CC2(O)CCN(C(=O)C3CC3)CC2)cc1)C1CCCCC1.
What is the InChIKey of [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is LWWIUNYLTNYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O2/c1-2-30(24-6-4-3-5-7-24)21-22-8-12-25(13-9-22)32-26(14-17-29-32)20-28(34)15-18-31(19-16-28)27(33)23-10-11-23/h8-9,12-13,17,23-24,26,34H,2-7,10-11,14-16,18-21H2,1H3.
What are the key properties of [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone?
[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 466.67 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 142799328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).