3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol

C17H20F3N3O2 — CID 78151088

IUPAC3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol
SMILESCn1cc(CNC2C(c3ccc(C(F)(F)F)cc3)CC(O)C2O)cn1
InChIInChI=1S/C17H20F3N3O2/c1-23-9-10(8-22-23)7-21-15-13(6-14(24)16(15)25)11-2-4-12(5-3-11)17(18,19)20/h2-5,8-9,13-16,21,24-25H,6-7H2,1H3
InChIKeyRSQGIPAPHPDZLZ-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.81
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol

3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol (PubChem CID 78151088) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol
PubChem CID78151088
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol
SMILESCn1cc(CNC2C(c3ccc(C(F)(F)F)cc3)CC(O)C2O)cn1
InChIInChI=1S/C17H20F3N3O2/c1-23-9-10(8-22-23)7-21-15-13(6-14(24)16(15)25)11-2-4-12(5-3-11)17(18,19)20/h2-5,8-9,13-16,21,24-25H,6-7H2,1H3
InChIKeyRSQGIPAPHPDZLZ-UHFFFAOYSA-N
XLogP1.81
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
CID 71694059
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
CID 75536117
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-phenylcyclopentane-1,2-diol
CID 71694040
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol
CID 71694044
(2R,3S)-3-amino-4-phenyl-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 69145565
tert-butyl [(3S,4S,5R)-5-[[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methyl]-4-hydroxypyrrolidin-3-yl] carbonate
CID 176952960
(3S,4S,5R)-4-(1,1-difluoropropoxy)-5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-ol
CID 178261669
(3S,4S,5R)-4-(1,1-difluoropropoxy)-5-[[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methyl]pyrrolidin-3-ol
CID 178261765
(3S,4S,5R)-5-[[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methyl]-4-ethoxypyrrolidin-3-ol
CID 178261874
(3S,4S,5R)-4-ethoxy-5-[[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methyl]pyrrolidin-3-ol
CID 178261902
(3S,4S,5R)-5-[[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methyl]-4-(1,1-difluoropropoxy)pyrrolidin-3-ol
CID 178261948
(3S,4S,5R)-4-(1,1-difluoropropoxy)-5-[[4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]pyrrolidin-3-ol
CID 178262130

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol (CID 78151088) is 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol is Cn1cc(CNC2C(c3ccc(C(F)(F)F)cc3)CC(O)C2O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol?
The InChIKey is RSQGIPAPHPDZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-23-9-10(8-22-23)7-21-15-13(6-14(24)16(15)25)11-2-4-12(5-3-11)17(18,19)20/h2-5,8-9,13-16,21,24-25H,6-7H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol?
3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol has a molecular weight of 355.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methylamino]-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,2-diol is sourced from PubChem (CID 78151088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).