bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine

C87H95ClN20O8 — CID 159831469

About bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine

bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine (PubChem CID 159831469) has the molecular formula C87H95ClN20O8 and a molecular weight of 1584.30 g/mol. Its IUPAC name is bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine.

Molecular Properties

• Compound Name: bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine
• PubChem CID: 159831469
• Molecular Formula: C87H95ClN20O8
• Molecular Weight: 1584.30 g/mol
• Exact Mass: 1582.73
• IUPAC Name: bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine
• SMILES: CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Nc3cc(C)cc(C)c3)nc12.Cc1cc(C)cc(Nc2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c1.NC1CC1
• InChI: InChI=1S/C24H25N5O.2C23H23N5O2.C14H17ClN4O3.C3H7N/c1-16-10-17(2)12-20(11-16)26-22-13-23(28(4)15-19-8-6-5-7-9-19)29-24(27-22)21(14-25-29)18(3)30;2*1-15-9-16(2)11-18(10-15)25-20-12-21(27(3)14-17-7-5-4-6-8-17)28-22(26-20)19(13-24-28)23(29)30;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;4-3-1-2-3/h5-14H,15H2,1-4H3,(H,26,27);2*4-13H,14H2,1-3H3,(H,25,26)(H,29,30);6-7H,1-5H3;3H,1-2,4H2
• InChIKey: NNMZYZDYRGXZBC-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 330.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.30
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine?

The IUPAC name of bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine (CID 159831469) is bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine.

What is the SMILES notation for bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine?

The canonical SMILES for bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine is CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Nc3cc(C)cc(C)c3)nc12.Cc1cc(C)cc(Nc2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)Cc3ccccc3)n3ncc(C(=O)O)c3n2)c1.NC1CC1.

What is the InChIKey of bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine?

The InChIKey is NNMZYZDYRGXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.2C23H23N5O2.C14H17ClN4O3.C3H7N/c1-16-10-17(2)12-20(11-16)26-22-13-23(28(4)15-19-8-6-5-7-9-19)29-24(27-22)21(14-25-29)18(3)30;2*1-15-9-16(2)11-18(10-15)25-20-12-21(27(3)14-17-7-5-4-6-8-17)28-22(26-20)19(13-24-28)23(29)30;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;4-3-1-2-3/h5-14H,15H2,1-4H3,(H,26,27);2*4-13H,14H2,1-3H3,(H,25,26)(H,29,30);6-7H,1-5H3;3H,1-2,4H2.

What are the key properties of bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine?

bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine has a molecular weight of 1584.30 g/mol, XLogP of 16.84, 20 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine is sourced from PubChem (CID 159831469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).