5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine

C99H102ClN18O8Si2+ — CID 158797304

IUPAC5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine
SMILESCOc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.C[Si](C)(C)CCOC[n+]1ccn(N)c1
InChIInChI=1S/C35H38N6O3Si.C29H24N6O2.C26H20ClN3O2.C9H20N3OSi/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2;1-36-22-15-13-20(14-16-22)25-27(31-23-17-18-30-33-23)32-28-24(19-9-5-3-6-10-19)26(21-11-7-4-8-12-21)34-35(28)29(25)37-2;1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-14(2,3)7-6-13-9-11-4-5-12(10)8-11/h6-21H,22-24H2,1-5H3,(H,36,37,38);3-18H,1-2H3,(H2,30,31,32,33);3-16H,1-2H3;4-5,8H,6-7,9-10H2,1-3H3/q;;;+1
InChIKeyQAHAMGJOFLGRDS-UHFFFAOYSA-N
MW1763.65 g/mol
LogP21.42
Rot. Bonds29

About 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine

5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine (PubChem CID 158797304) has the molecular formula C99H102ClN18O8Si2+ and a molecular weight of 1763.65 g/mol. Its IUPAC name is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine.

Molecular Properties

Compound Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine
PubChem CID158797304
Molecular FormulaC99H102ClN18O8Si2+
Molecular Weight1763.65 g/mol
Exact Mass1761.73
IUPAC Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine
SMILESCOc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.C[Si](C)(C)CCOC[n+]1ccn(N)c1
InChIInChI=1S/C35H38N6O3Si.C29H24N6O2.C26H20ClN3O2.C9H20N3OSi/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2;1-36-22-15-13-20(14-16-22)25-27(31-23-17-18-30-33-23)32-28-24(19-9-5-3-6-10-19)26(21-11-7-4-8-12-21)34-35(28)29(25)37-2;1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-14(2,3)7-6-13-9-11-4-5-12(10)8-11/h6-21H,22-24H2,1-5H3,(H,36,37,38);3-18H,1-2H3,(H2,30,31,32,33);3-16H,1-2H3;4-5,8H,6-7,9-10H2,1-3H3/q;;;+1
InChIKeyQAHAMGJOFLGRDS-UHFFFAOYSA-N
XLogP21.42
TPSA269.80 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.65
LogP ≤ 521.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine with MolForge

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Related Compounds

7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 134347336
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 140853460
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 142295584
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295561
3-methoxy-N-[7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-yl]-1,2,4-thiadiazol-5-amine
CID 134307648
6-(4-methoxyphenyl)-2,3-diphenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 160941952
5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295566
3-[(E)-but-1-enyl]-5-chloro-7-methoxy-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 134315433
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152925158
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 134307264
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
CID 164836120

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine?
The IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine (CID 158797304) is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine.
What is the SMILES notation for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine?
The canonical SMILES for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine is COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.COc1ccc(-c2c(Nc3ccn[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.C[Si](C)(C)CCOC[n+]1ccn(N)c1.
What is the InChIKey of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine?
The InChIKey is QAHAMGJOFLGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O3Si.C29H24N6O2.C26H20ClN3O2.C9H20N3OSi/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2;1-36-22-15-13-20(14-16-22)25-27(31-23-17-18-30-33-23)32-28-24(19-9-5-3-6-10-19)26(21-11-7-4-8-12-21)34-35(28)29(25)37-2;1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-14(2,3)7-6-13-9-11-4-5-12(10)8-11/h6-21H,22-24H2,1-5H3,(H,36,37,38);3-18H,1-2H3,(H2,30,31,32,33);3-16H,1-2H3;4-5,8H,6-7,9-10H2,1-3H3/q;;;+1.
What are the key properties of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine?
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine has a molecular weight of 1763.65 g/mol, XLogP of 21.42, 29 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(2-trimethylsilylethoxymethyl)imidazol-3-ium-1-amine is sourced from PubChem (CID 158797304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).