[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol

C9H8ClFN4O — CID 58513701

IUPAC[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2nc(Cl)ncc2F)cc1CO
InChIInChI=1S/C9H8ClFN4O/c1-5-6(4-16)3-15(14-5)8-7(11)2-12-9(10)13-8/h2-3,16H,4H2,1H3
InChIKeyLDGSHJYXQOLLRO-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.26
Rot. Bonds2

About [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol

[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol (PubChem CID 58513701) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol
PubChem CID58513701
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2nc(Cl)ncc2F)cc1CO
InChIInChI=1S/C9H8ClFN4O/c1-5-6(4-16)3-15(14-5)8-7(11)2-12-9(10)13-8/h2-3,16H,4H2,1H3
InChIKeyLDGSHJYXQOLLRO-UHFFFAOYSA-N
XLogP1.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 57708394
(1-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 57708404
2-[(1,5-Dimethylpyrazol-4-yl)methoxy]-5-fluoropyrimidin-4-amine
CID 57819192
[3-(Trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]methanol
CID 138630782
1-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazole-4-carboxylic acid
CID 154464615
[5-Chloro-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43531891
[5-Chloro-3-(difluoromethyl)-1-pyrimidin-2-ylpyrazol-4-yl]methanol
CID 55127762
[5-Chloro-1-(6-methylpyrimidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 61965898
[5-Chloro-3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]methanol
CID 62891390
[1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]methanol
CID 64177259
[5-Chloro-1-pyrimidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 79822827
[5-Chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazol-4-yl]methanol
CID 79822912

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol (CID 58513701) is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol is Cc1nn(-c2nc(Cl)ncc2F)cc1CO.
What is the InChIKey of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is LDGSHJYXQOLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c1-5-6(4-16)3-15(14-5)8-7(11)2-12-9(10)13-8/h2-3,16H,4H2,1H3.
What are the key properties of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol?
[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 242.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 58513701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).