3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide

C27H20N8O2 — CID 139236328

IUPAC3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide
SMILESNc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)Nc1cc(=O)n2c(-c3ccccc3)n[nH]c2n1
InChIInChI=1S/C27H20N8O2/c28-24-22(23(17-10-4-1-5-11-17)35(33-24)19-14-8-3-9-15-19)26(37)29-20-16-21(36)34-25(31-32-27(34)30-20)18-12-6-2-7-13-18/h1-16H,(H2,28,33)(H,29,37)(H,30,32)
InChIKeyVOWIGZXFOUXTJX-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.77
Rot. Bonds5

About 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide

3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide (PubChem CID 139236328) has the molecular formula C27H20N8O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide
PubChem CID139236328
Molecular FormulaC27H20N8O2
Molecular Weight488.51 g/mol
Exact Mass488.17
IUPAC Name3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide
SMILESNc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)Nc1cc(=O)n2c(-c3ccccc3)n[nH]c2n1
InChIInChI=1S/C27H20N8O2/c28-24-22(23(17-10-4-1-5-11-17)35(33-24)19-14-8-3-9-15-19)26(37)29-20-16-21(36)34-25(31-32-27(34)30-20)18-12-6-2-7-13-18/h1-16H,(H2,28,33)(H,29,37)(H,30,32)
InChIKeyVOWIGZXFOUXTJX-UHFFFAOYSA-N
XLogP3.77
TPSA135.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
5-(Benzylamino-methyl)-1-phenyl-3-p-tolyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135418010
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332
3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11675856
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 11246786
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide (CID 139236328) is 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide is Nc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)Nc1cc(=O)n2c(-c3ccccc3)n[nH]c2n1.
What is the InChIKey of 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide?
The InChIKey is VOWIGZXFOUXTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N8O2/c28-24-22(23(17-10-4-1-5-11-17)35(33-24)19-14-8-3-9-15-19)26(37)29-20-16-21(36)34-25(31-32-27(34)30-20)18-12-6-2-7-13-18/h1-16H,(H2,28,33)(H,29,37)(H,30,32).
What are the key properties of 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide?
3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 139236328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).