[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone

C24H29F2N5O2 — CID 142799390

IUPAC[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(O)(CC3CC=NN3c3ccc(-c4cnn(C(F)F)c4)cc3)CC2)CC1
InChIInChI=1S/C24H29F2N5O2/c1-23(7-8-23)21(32)29-12-9-24(33,10-13-29)14-20-6-11-27-31(20)19-4-2-17(3-5-19)18-15-28-30(16-18)22(25)26/h2-5,11,15-16,20,22,33H,6-10,12-14H2,1H3
InChIKeyRSJNHDVJWNVLOK-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.05
Rot. Bonds6

About [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 142799390) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID142799390
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(O)(CC3CC=NN3c3ccc(-c4cnn(C(F)F)c4)cc3)CC2)CC1
InChIInChI=1S/C24H29F2N5O2/c1-23(7-8-23)21(32)29-12-9-24(33,10-13-29)14-20-6-11-27-31(20)19-4-2-17(3-5-19)18-15-28-30(16-18)22(25)26/h2-5,11,15-16,20,22,33H,6-10,12-14H2,1H3
InChIKeyRSJNHDVJWNVLOK-UHFFFAOYSA-N
XLogP4.05
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-[[4-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436072
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-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799310
cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 151173158
cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
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
cyclopropyl-[4-hydroxy-4-[[2-[3-(2-methyl-4-pyrazol-1-ylphenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799306
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 142799390) is [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(O)(CC3CC=NN3c3ccc(-c4cnn(C(F)F)c4)cc3)CC2)CC1.
What is the InChIKey of [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is RSJNHDVJWNVLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-23(7-8-23)21(32)29-12-9-24(33,10-13-29)14-20-6-11-27-31(20)19-4-2-17(3-5-19)18-15-28-30(16-18)22(25)26/h2-5,11,15-16,20,22,33H,6-10,12-14H2,1H3.
What are the key properties of [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 457.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 142799390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).