chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol

C12H13ClFN3O2 — CID 145419986

IUPACchloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol
SMILESCC(C)n1ncc(F)c1-c1ncccc1C(O)(O)Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)17-11(9(14)6-16-17)10-8(12(13,18)19)4-3-5-15-10/h3-7,18-19H,1-2H3
InChIKeyMDWKMHFOWXGRHN-UHFFFAOYSA-N
MW285.71 g/mol
LogP2.00
Rot. Bonds3

About chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol

chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol (PubChem CID 145419986) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol.

Molecular Properties

Compound Namechloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol
PubChem CID145419986
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Namechloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol
SMILESCC(C)n1ncc(F)c1-c1ncccc1C(O)(O)Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)17-11(9(14)6-16-17)10-8(12(13,18)19)4-3-5-15-10/h3-7,18-19H,1-2H3
InChIKeyMDWKMHFOWXGRHN-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-a]pyridin-4-ylmethanol
CID 11094777
2-(1-(1-Methylethyl)-1H-pyrazol-5-yl)-3-pyridinemethanol
CID 89654758
(1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)methanol
CID 39095883
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
2-{6-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-3-pyridinyl}-2-propanol
CID 58302206
2-[6-[1-(4-Fluorophenyl)-4-iodopyrazol-3-yl]-3-pyridinyl]propan-2-ol
CID 58302322
4-Hydroxymethyl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 59389331
(1-(2-fluorobenzyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl)methanol
CID 66633410
2,2,2-trifluoro-1-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethanol
CID 68210800
1-[1-[2-(4-Fluorophenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]propan-1-ol
CID 68229951
2,2,2-Trifluoro-1-[6-(2-methylpyrazol-3-yl)pyridin-3-yl]ethanol
CID 71294394
[3-(2-chlorophenyl)-1-(2-fluoro-5-methylpyridin-4-yl)-1H-pyrazol-4-yl]methanol
CID 86688650

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol?
The IUPAC name of chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol (CID 145419986) is chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol.
What is the SMILES notation for chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol?
The canonical SMILES for chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol is CC(C)n1ncc(F)c1-c1ncccc1C(O)(O)Cl.
What is the InChIKey of chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol?
The InChIKey is MDWKMHFOWXGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-7(2)17-11(9(14)6-16-17)10-8(12(13,18)19)4-3-5-15-10/h3-7,18-19H,1-2H3.
What are the key properties of chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol?
chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol has a molecular weight of 285.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(4-fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanediol is sourced from PubChem (CID 145419986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).