3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane

C21H24N4 — CID 159273056

IUPAC3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.CC.c1ccc(-c2ncc3[nH]nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C17H12N4.2C2H6/c1-3-7-12(8-4-1)15-16-14(20-21-15)11-18-17(19-16)13-9-5-2-6-10-13;2*1-2/h1-11H,(H,20,21);2*1-2H3
InChIKeyKXYLOBMWYLZOQK-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.74
Rot. Bonds2

About 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane

3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane (PubChem CID 159273056) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
PubChem CID159273056
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
SMILESCC.CC.c1ccc(-c2ncc3[nH]nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C17H12N4.2C2H6/c1-3-7-12(8-4-1)15-16-14(20-21-15)11-18-17(19-16)13-9-5-2-6-10-13;2*1-2/h1-11H,(H,20,21);2*1-2H3
InChIKeyKXYLOBMWYLZOQK-UHFFFAOYSA-N
XLogP5.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diphenyl-1H-pyrazolo[4,3-b]pyridine;ethane
CID 160775016
3,5-diphenyl-1H-pyrazolo[4,3-b]pyridine
CID 67256316
5-methyl-3-pyridin-3-yl-1H-pyrazolo[4,3-d]pyrimidine
CID 134337598
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
CID 76847130
3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134326602
3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418735
8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
CID 134326986
6,8-dimethyl-2-phenylquinazoline
CID 132546022
4,9,10,11,12,16,21,22,23,24-decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 58731980
8-bromo-2-phenylquinazoline
CID 72698916
3-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253840
5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 171621163

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The IUPAC name of 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane (CID 159273056) is 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane.
What is the SMILES notation for 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The canonical SMILES for 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane is CC.CC.c1ccc(-c2ncc3[nH]nc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane?
The InChIKey is KXYLOBMWYLZOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4.2C2H6/c1-3-7-12(8-4-1)15-16-14(20-21-15)11-18-17(19-16)13-9-5-2-6-10-13;2*1-2/h1-11H,(H,20,21);2*1-2H3.
What are the key properties of 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane?
3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane has a molecular weight of 332.45 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane is sourced from PubChem (CID 159273056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).