[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol

C9H9ClFIN4O — CID 87309281

IUPAC[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCC1(I)NN(c2nc(Cl)ncc2F)C=C1CO
InChIInChI=1S/C9H9ClFIN4O/c1-9(12)5(4-17)3-16(15-9)7-6(11)2-13-8(10)14-7/h2-3,15,17H,4H2,1H3
InChIKeyQVSOHYGONYRMRD-UHFFFAOYSA-N
MW370.55 g/mol
LogP1.62
Rot. Bonds2

About [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol

[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol (PubChem CID 87309281) has the molecular formula C9H9ClFIN4O and a molecular weight of 370.55 g/mol. Its IUPAC name is [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol
PubChem CID87309281
Molecular FormulaC9H9ClFIN4O
Molecular Weight370.55 g/mol
Exact Mass369.95
IUPAC Name[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCC1(I)NN(c2nc(Cl)ncc2F)C=C1CO
InChIInChI=1S/C9H9ClFIN4O/c1-9(12)5(4-17)3-16(15-9)7-6(11)2-13-8(10)14-7/h2-3,15,17H,4H2,1H3
InChIKeyQVSOHYGONYRMRD-UHFFFAOYSA-N
XLogP1.62
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol 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-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 175313862
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
CID 130593845
2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
CID 79076106
2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
CID 87259288
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 172581443
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
CID 87513922
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79076306
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol (CID 87309281) is [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol is CC1(I)NN(c2nc(Cl)ncc2F)C=C1CO.
What is the InChIKey of [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol?
The InChIKey is QVSOHYGONYRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFIN4O/c1-9(12)5(4-17)3-16(15-9)7-6(11)2-13-8(10)14-7/h2-3,15,17H,4H2,1H3.
What are the key properties of [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol?
[2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol has a molecular weight of 370.55 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluoropyrimidin-4-yl)-5-iodo-5-methyl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 87309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).