2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol

C27H31F3N4O2 — CID 166525255

IUPAC2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
SMILESCN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(-c3cc(C(C)(C)O)[nH]n3)c2)C1
InChIInChI=1S/C27H31F3N4O2/c1-23(2,35)22-12-21(32-33-22)17-11-20(14-31-13-17)26(36,24(3)15-34(4)16-24)19-7-5-18(6-8-19)25(9-10-25)27(28,29)30/h5-8,11-14,35-36H,9-10,15-16H2,1-4H3,(H,32,33)/t26-/m0/s1
InChIKeyBADWGXSOKJGRDM-SANMLTNESA-N
MW500.57 g/mol
LogP4.48
Rot. Bonds6

About 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol

2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol (PubChem CID 166525255) has the molecular formula C27H31F3N4O2 and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
PubChem CID166525255
Molecular FormulaC27H31F3N4O2
Molecular Weight500.57 g/mol
Exact Mass500.24
IUPAC Name2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
SMILESCN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(-c3cc(C(C)(C)O)[nH]n3)c2)C1
InChIInChI=1S/C27H31F3N4O2/c1-23(2,35)22-12-21(32-33-22)17-11-20(14-31-13-17)26(36,24(3)15-34(4)16-24)19-7-5-18(6-8-19)25(9-10-25)27(28,29)30/h5-8,11-14,35-36H,9-10,15-16H2,1-4H3,(H,32,33)/t26-/m0/s1
InChIKeyBADWGXSOKJGRDM-SANMLTNESA-N
XLogP4.48
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol with MolForge

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Related Compounds

2-{5-[4-(1H-pyrazol-5-yl)phenyl]pyridin-3-yl}propan-2-ol
CID 121500067
(+/-)-5-(4-Fluorophenyl)-3-(7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(pyridin-4-yl)pyrazole
CID 9929658
2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 11552812
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-1-ol
CID 12106170
5-(4-Fluorophenyl)-4-(4-pyridinyl)-1h-pyrazole-3-methanol
CID 22037697
(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol
CID 22574546
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
CID 24821523
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-(3-methylphenyl)propan-1-ol
CID 24821524
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol
CID 24821593
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methyl-3-phenylpropan-1-ol
CID 24821594
3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
CID 69350180
1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 69350759

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol (CID 166525255) is 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol is CN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(-c3cc(C(C)(C)O)[nH]n3)c2)C1.
What is the InChIKey of 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The InChIKey is BADWGXSOKJGRDM-SANMLTNESA-N. The full InChI is InChI=1S/C27H31F3N4O2/c1-23(2,35)22-12-21(32-33-22)17-11-20(14-31-13-17)26(36,24(3)15-34(4)16-24)19-7-5-18(6-8-19)25(9-10-25)27(28,29)30/h5-8,11-14,35-36H,9-10,15-16H2,1-4H3,(H,32,33)/t26-/m0/s1.
What are the key properties of 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol has a molecular weight of 500.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]-3-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 166525255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).