2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol

C24H26N5O+ — CID 7599856

IUPAC2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)CC1
InChIInChI=1S/C24H25N5O/c30-16-15-27-11-13-28(14-12-27)23-17-22(20-9-5-2-6-10-20)26-24-21(18-25-29(23)24)19-7-3-1-4-8-19/h1-10,17-18,30H,11-16H2/p+1
InChIKeyPTENQSNUMMHCQC-UHFFFAOYSA-O
MW400.51 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol

2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol (PubChem CID 7599856) has the molecular formula C24H26N5O+ and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol
PubChem CID7599856
Molecular FormulaC24H26N5O+
Molecular Weight400.51 g/mol
Exact Mass400.21
IUPAC Name2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)CC1
InChIInChI=1S/C24H25N5O/c30-16-15-27-11-13-28(14-12-27)23-17-22(20-9-5-2-6-10-20)26-24-21(18-25-29(23)24)19-7-3-1-4-8-19/h1-10,17-18,30H,11-16H2/p+1
InChIKeyPTENQSNUMMHCQC-UHFFFAOYSA-O
XLogP1.76
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4975606
7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 7633677
7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 2045013
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3615753
7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 4974789
2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
CID 7596250
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-ium-1-yl]ethanol
CID 6956791
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 4903337
2-[4-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-ium-1-yl]ethanol
CID 7740141
5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044964
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol (CID 7599856) is 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol is OCC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)CC1.
What is the InChIKey of 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol?
The InChIKey is PTENQSNUMMHCQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N5O/c30-16-15-27-11-13-28(14-12-27)23-17-22(20-9-5-2-6-10-20)26-24-21(18-25-29(23)24)19-7-3-1-4-8-19/h1-10,17-18,30H,11-16H2/p+1.
What are the key properties of 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol?
2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol has a molecular weight of 400.51 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 7599856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).