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

C12H13ClFN3O2 — CID 145420030

IUPACchloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol
SMILESCC(C)n1nccc1-c1nccc(F)c1C(O)(O)Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)17-9(4-6-16-17)11-10(12(13,18)19)8(14)3-5-15-11/h3-7,18-19H,1-2H3
InChIKeyCCAUCPNQXBYRSD-UHFFFAOYSA-N
MW285.71 g/mol
LogP2.00
Rot. Bonds3

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

chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol (PubChem CID 145420030) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol.

Molecular Properties

Compound Namechloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol
PubChem CID145420030
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC Namechloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol
SMILESCC(C)n1nccc1-c1nccc(F)c1C(O)(O)Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)17-9(4-6-16-17)11-10(12(13,18)19)8(14)3-5-15-11/h3-7,18-19H,1-2H3
InChIKeyCCAUCPNQXBYRSD-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'}

Analyze chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
(2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690725
(2-(1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690730
(2-Methylpyrazol-3-yl)-[4-(trifluoromethyl)pyridin-3-yl]methanol
CID 102707502

Frequently Asked Questions

What is the IUPAC name of chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol?
The IUPAC name of chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol (CID 145420030) is chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol.
What is the SMILES notation for chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol?
The canonical SMILES for chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol is CC(C)n1nccc1-c1nccc(F)c1C(O)(O)Cl.
What is the InChIKey of chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol?
The InChIKey is CCAUCPNQXBYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-7(2)17-9(4-6-16-17)11-10(12(13,18)19)8(14)3-5-15-11/h3-7,18-19H,1-2H3.
What are the key properties of chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol?
chloro-[4-fluoro-2-(2-propan-2-ylpyrazol-3-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-[4-fluoro-2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanediol is sourced from PubChem (CID 145420030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).