cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone

C30H39N5O2 — CID 142799352

IUPACcyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESCN1CCN(c2ccc(-c3ccc(N4N=CCC4CC4(O)CCN(C(=O)C5CC5)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H39N5O2/c1-32-18-20-33(21-19-32)26-8-4-23(5-9-26)24-6-10-27(11-7-24)35-28(12-15-31-35)22-30(37)13-16-34(17-14-30)29(36)25-2-3-25/h4-11,15,25,28,37H,2-3,12-14,16-22H2,1H3
InChIKeyNUNMBWUUBVMNSQ-UHFFFAOYSA-N
MW501.68 g/mol
LogP3.82
Rot. Bonds6

About cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone

cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 142799352) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID142799352
Molecular FormulaC30H39N5O2
Molecular Weight501.68 g/mol
Exact Mass501.31
IUPAC Namecyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESCN1CCN(c2ccc(-c3ccc(N4N=CCC4CC4(O)CCN(C(=O)C5CC5)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H39N5O2/c1-32-18-20-33(21-19-32)26-8-4-23(5-9-26)24-6-10-27(11-7-24)35-28(12-15-31-35)22-30(37)13-16-34(17-14-30)29(36)25-2-3-25/h4-11,15,25,28,37H,2-3,12-14,16-22H2,1H3
InChIKeyNUNMBWUUBVMNSQ-UHFFFAOYSA-N
XLogP3.82
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.68
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799362
cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
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
cyclopropyl-[4-[[2-[4-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 142799492
[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
CID 142799328
cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390
[4-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 142799537
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of 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) is cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone is CN1CCN(c2ccc(-c3ccc(N4N=CCC4CC4(O)CCN(C(=O)C5CC5)CC4)cc3)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is NUNMBWUUBVMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-32-18-20-33(21-19-32)26-8-4-23(5-9-26)24-6-10-27(11-7-24)35-28(12-15-31-35)22-30(37)13-16-34(17-14-30)29(36)25-2-3-25/h4-11,15,25,28,37H,2-3,12-14,16-22H2,1H3.
What are the key properties of cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 501.68 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 142799352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).