(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

C24H28Cl2N6O2 — CID 164981703

IUPAC(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccnc2Cl)n(C)n1.CCc1cc(C(O)c2cccnc2Cl)n(C)n1
InChIInChI=1S/2C12H14ClN3O/c2*1-3-8-7-10(16(2)15-8)11(17)9-5-4-6-14-12(9)13/h2*4-7,11,17H,3H2,1-2H3
InChIKeyFOXBPAACSNUQIY-UHFFFAOYSA-N
MW503.43 g/mol
LogP4.23
Rot. Bonds6

About (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 164981703) has the molecular formula C24H28Cl2N6O2 and a molecular weight of 503.43 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID164981703
Molecular FormulaC24H28Cl2N6O2
Molecular Weight503.43 g/mol
Exact Mass502.17
IUPAC Name(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccnc2Cl)n(C)n1.CCc1cc(C(O)c2cccnc2Cl)n(C)n1
InChIInChI=1S/2C12H14ClN3O/c2*1-3-8-7-10(16(2)15-8)11(17)9-5-4-6-14-12(9)13/h2*4-7,11,17H,3H2,1-2H3
InChIKeyFOXBPAACSNUQIY-UHFFFAOYSA-N
XLogP4.23
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,1-Bis(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)ethanol
CID 343184
{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}(2-pyridyl)methanol
CID 53193338
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-pyridin-3-ylpropan-1-ol
CID 21992367
[5-(4-Chlorophenyl)-3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-pyridin-3-ylmethanol
CID 25189141
[3-(4-Chlorophenyl)-5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-pyridin-3-ylmethanol
CID 25189411
(4aS,5R)-5-[2-(4-chloro-2-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 52931925
(5R)-5-[2-(3-chloro-2-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)-4,4a,6,7-tetrahydrocyclopenta[f]indazol-5-ol
CID 68340243
6-[[3-Fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol
CID 126658955
1-[4-Chloro-6-(trifluoromethyl)pyridin-3-yl]-2-(3-pyrazol-1-ylphenyl)ethanol
CID 150508686
Tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
CID 157172191
3-(Chloromethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine;thionyl dichloride;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
CID 158538884

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (CID 164981703) is (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1cc(C(O)c2cccnc2Cl)n(C)n1.CCc1cc(C(O)c2cccnc2Cl)n(C)n1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is FOXBPAACSNUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14ClN3O/c2*1-3-8-7-10(16(2)15-8)11(17)9-5-4-6-14-12(9)13/h2*4-7,11,17H,3H2,1-2H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
(2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol has a molecular weight of 503.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 164981703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).