5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane

C15H23ClN4 — CID 171627145

IUPAC5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane
SMILESCC.CCC(CC)n1cc(-c2nc(C)ncc2Cl)cn1
InChIInChI=1S/C13H17ClN4.C2H6/c1-4-11(5-2)18-8-10(6-16-18)13-12(14)7-15-9(3)17-13;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyZJPWNFUXQJRZPF-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.69
Rot. Bonds4

About 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane

5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane (PubChem CID 171627145) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane
PubChem CID171627145
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane
SMILESCC.CCC(CC)n1cc(-c2nc(C)ncc2Cl)cn1
InChIInChI=1S/C13H17ClN4.C2H6/c1-4-11(5-2)18-8-10(6-16-18)13-12(14)7-15-9(3)17-13;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyZJPWNFUXQJRZPF-UHFFFAOYSA-N
XLogP4.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane?
The IUPAC name of 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane (CID 171627145) is 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane.
What is the SMILES notation for 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane?
The canonical SMILES for 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane is CC.CCC(CC)n1cc(-c2nc(C)ncc2Cl)cn1.
What is the InChIKey of 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane?
The InChIKey is ZJPWNFUXQJRZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4.C2H6/c1-4-11(5-2)18-8-10(6-16-18)13-12(14)7-15-9(3)17-13;1-2/h6-8,11H,4-5H2,1-3H3;1-2H3.
What are the key properties of 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane?
5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane has a molecular weight of 294.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidine;ethane is sourced from PubChem (CID 171627145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).