benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

C23H22N6O — CID 123256118

IUPACbenzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C23H22N6O/c1-3-7-18(8-4-1)17-24-26-21-16-23(28-11-13-30-14-12-28)29-22(25-21)15-20(27-29)19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2/b26-24+
InChIKeyISSYXRIPOIIWDP-SHHOIMCASA-N
MW398.47 g/mol
LogP4.52
Rot. Bonds5

About benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (PubChem CID 123256118) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.

Molecular Properties

Compound Namebenzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
PubChem CID123256118
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Namebenzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C23H22N6O/c1-3-7-18(8-4-1)17-24-26-21-16-23(28-11-13-30-14-12-28)29-22(25-21)15-20(27-29)19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2/b26-24+
InChIKeyISSYXRIPOIIWDP-SHHOIMCASA-N
XLogP4.52
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123590757
(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123271449
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123719867
1-benzothiophen-2-ylmethyl-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123640264
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542
7-morpholin-4-yl-2-phenyl-N-[(E)-3-phenylpropylideneamino]pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999540
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182
N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173488175
4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677

Frequently Asked Questions

What is the IUPAC name of benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The IUPAC name of benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (CID 123256118) is benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.
What is the SMILES notation for benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The canonical SMILES for benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is c1ccc(C/N=N/c2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The InChIKey is ISSYXRIPOIIWDP-SHHOIMCASA-N. The full InChI is InChI=1S/C23H22N6O/c1-3-7-18(8-4-1)17-24-26-21-16-23(28-11-13-30-14-12-28)29-22(25-21)15-20(27-29)19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2/b26-24+.
What are the key properties of benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene has a molecular weight of 398.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is sourced from PubChem (CID 123256118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).