1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

C13H16ClN3O2 — CID 175947839

IUPAC1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILES[2H]C([2H])([2H])Oc1cc(Cl)ncc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C13H16ClN3O2/c1-13(2,18)8-17-7-9(5-16-17)10-6-15-12(14)4-11(10)19-3/h4-7,18H,8H2,1-3H3/i3D3
InChIKeyYRPSDHLLIIJLMY-HPRDVNIFSA-N
MW284.76 g/mol
LogP2.38
Rot. Bonds5

About 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 175947839) has the molecular formula C13H16ClN3O2 and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID175947839
Molecular FormulaC13H16ClN3O2
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILES[2H]C([2H])([2H])Oc1cc(Cl)ncc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C13H16ClN3O2/c1-13(2,18)8-17-7-9(5-16-17)10-6-15-12(14)4-11(10)19-3/h4-7,18H,8H2,1-3H3/i3D3
InChIKeyYRPSDHLLIIJLMY-HPRDVNIFSA-N
XLogP2.38
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 158073574
2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
CID 170305651
1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166535069
1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166320415
[2-chloro-5-(trideuteriomethoxy)-4-pyridinyl]boronic acid
CID 171486891
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
tert-butyl (3S)-3-[[2-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-pyridinyl]-methylamino]pyrrolidine-1-carboxylate
CID 176977239
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 164870619
tert-butyl N-[(3S,5S)-1-[2-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-pyridinyl]-5-fluoropiperidin-3-yl]carbamate
CID 172626995
(2S)-2-amino-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
CID 172529904
1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 175947839) is 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is [2H]C([2H])([2H])Oc1cc(Cl)ncc1-c1cnn(CC(C)(C)O)c1.
What is the InChIKey of 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is YRPSDHLLIIJLMY-HPRDVNIFSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-13(2,18)8-17-7-9(5-16-17)10-6-15-12(14)4-11(10)19-3/h4-7,18H,8H2,1-3H3/i3D3.
What are the key properties of 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 284.76 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 175947839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).