N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine

C87H117Cl2N19O5 — CID 158894831

About N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine

N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine (PubChem CID 158894831) has the molecular formula C87H117Cl2N19O5 and a molecular weight of 1579.93 g/mol. Its IUPAC name is N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine.

Molecular Properties

• Compound Name: N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine
• PubChem CID: 158894831
• Molecular Formula: C87H117Cl2N19O5
• Molecular Weight: 1579.93 g/mol
• Exact Mass: 1577.89
• IUPAC Name: N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine
• SMILES: C1CCOC1.CC(C)N.CC(C)Nc1cc(N(Cc2ccccc2)C(=O)OC(C)(C)C)n2ncc(C(C)C)c2n1.CC(C)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1.CC(C)c1cnn2c(N(Cc3ccccc3)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12
• InChI: InChI=1S/C24H33N5O2.C21H25ClN4O2.C19H25N5.C16H17ClN4.C4H8O.C3H9N/c1-16(2)19-14-25-29-21(13-20(26-17(3)4)27-22(19)29)28(23(30)31-24(5,6)7)15-18-11-9-8-10-12-18;1-14(2)16-12-23-26-18(11-17(22)24-19(16)26)25(20(27)28-21(3,4)5)13-15-9-7-6-8-10-15;1-13(2)16-12-21-24-18(20-11-15-8-6-5-7-9-15)10-17(22-14(3)4)23-19(16)24;1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12;1-2-4-5-3-1;1-3(2)4/h8-14,16-17H,15H2,1-7H3,(H,26,27);6-12,14H,13H2,1-5H3;5-10,12-14,20H,11H2,1-4H3,(H,22,23);3-8,10-11,18H,9H2,1-2H3;1-4H2;3H,4H2,1-2H3
• InChIKey: JERYQQGRZDMLEJ-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 263.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.93
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine?

The IUPAC name of N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine (CID 158894831) is N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine.

What is the SMILES notation for N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine?

The canonical SMILES for N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine is C1CCOC1.CC(C)N.CC(C)Nc1cc(N(Cc2ccccc2)C(=O)OC(C)(C)C)n2ncc(C(C)C)c2n1.CC(C)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1.CC(C)c1cnn2c(N(Cc3ccccc3)C(=O)OC(C)(C)C)cc(Cl)nc12.CC(C)c1cnn2c(NCc3ccccc3)cc(Cl)nc12.

What is the InChIKey of N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine?

The InChIKey is JERYQQGRZDMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2.C21H25ClN4O2.C19H25N5.C16H17ClN4.C4H8O.C3H9N/c1-16(2)19-14-25-29-21(13-20(26-17(3)4)27-22(19)29)28(23(30)31-24(5,6)7)15-18-11-9-8-10-12-18;1-14(2)16-12-23-26-18(11-17(22)24-19(16)26)25(20(27)28-21(3,4)5)13-15-9-7-6-8-10-15;1-13(2)16-12-21-24-18(20-11-15-8-6-5-7-9-15)10-17(22-14(3)4)23-19(16)24;1-11(2)13-10-19-21-15(8-14(17)20-16(13)21)18-9-12-6-4-3-5-7-12;1-2-4-5-3-1;1-3(2)4/h8-14,16-17H,15H2,1-7H3,(H,26,27);6-12,14H,13H2,1-5H3;5-10,12-14,20H,11H2,1-4H3,(H,22,23);3-8,10-11,18H,9H2,1-2H3;1-4H2;3H,4H2,1-2H3.

What are the key properties of N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine?

N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine has a molecular weight of 1579.93 g/mol, XLogP of 20.62, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate;tert-butyl N-benzyl-N-[3-propan-2-yl-5-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;oxolane;propan-2-amine is sourced from PubChem (CID 158894831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).