5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine

C20H19N4+ — CID 4829554

IUPAC5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine
SMILESCc1cc(C)[n+](-c2ccccc2)c2cc(Nc3ccccc3)nn12
InChIInChI=1S/C20H19N4/c1-15-13-16(2)24-20(23(15)18-11-7-4-8-12-18)14-19(22-24)21-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,21,22)/q+1
InChIKeyZBDKQRYPYTXISJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.97
Rot. Bonds3

About 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine

5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine (PubChem CID 4829554) has the molecular formula C20H19N4+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine
PubChem CID4829554
Molecular FormulaC20H19N4+
Molecular Weight315.40 g/mol
Exact Mass315.16
IUPAC Name5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine
SMILESCc1cc(C)[n+](-c2ccccc2)c2cc(Nc3ccccc3)nn12
InChIInChI=1S/C20H19N4/c1-15-13-16(2)24-20(23(15)18-11-7-4-8-12-18)14-19(22-24)21-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,21,22)/q+1
InChIKeyZBDKQRYPYTXISJ-UHFFFAOYSA-N
XLogP3.97
TPSA33.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
CID 162337786
2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25146880
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
1-(3,5-dianilinopyrazol-1-yl)butan-1-one
CID 121238385
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
1-N,10-diphenylphenazin-10-ium-1,8-diamine
CID 101478710

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine?
The IUPAC name of 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine (CID 4829554) is 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine.
What is the SMILES notation for 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine?
The canonical SMILES for 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine is Cc1cc(C)[n+](-c2ccccc2)c2cc(Nc3ccccc3)nn12.
What is the InChIKey of 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine?
The InChIKey is ZBDKQRYPYTXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N4/c1-15-13-16(2)24-20(23(15)18-11-7-4-8-12-18)14-19(22-24)21-17-9-5-3-6-10-17/h3-14H,1-2H3,(H,21,22)/q+1.
What are the key properties of 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine?
5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine has a molecular weight of 315.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine is sourced from PubChem (CID 4829554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).