[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol

C13H17ClN4O — CID 43333609

IUPAC[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(-c2nc(C)cc(C)n2)c(Cl)c1CO
InChIInChI=1S/C13H17ClN4O/c1-4-5-11-10(7-19)12(14)18(17-11)13-15-8(2)6-9(3)16-13/h6,19H,4-5,7H2,1-3H3
InChIKeyULJRNLXWFQSIQC-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.38
Rot. Bonds4

About [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol

[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol (PubChem CID 43333609) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol
PubChem CID43333609
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(-c2nc(C)cc(C)n2)c(Cl)c1CO
InChIInChI=1S/C13H17ClN4O/c1-4-5-11-10(7-19)12(14)18(17-11)13-15-8(2)6-9(3)16-13/h6,19H,4-5,7H2,1-3H3
InChIKeyULJRNLXWFQSIQC-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol (CID 43333609) is [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol is CCCc1nn(-c2nc(C)cc(C)n2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol?
The InChIKey is ULJRNLXWFQSIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-4-5-11-10(7-19)12(14)18(17-11)13-15-8(2)6-9(3)16-13/h6,19H,4-5,7H2,1-3H3.
What are the key properties of [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol?
[5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol has a molecular weight of 280.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 43333609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).