4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C47H53N19O — CID 123897376

About 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123897376) has the molecular formula C47H53N19O and a molecular weight of 900.07 g/mol. Its IUPAC name is 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 123897376
• Molecular Formula: C47H53N19O
• Molecular Weight: 900.07 g/mol
• Exact Mass: 899.47
• IUPAC Name: 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)cc(N4CC[C@H](N)C4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cc1.Nc1cc(C2CCCCC2)nc2c(-c3ncon3)cnn12
• InChI: InChI=1S/C19H19N5.C14H18N8.C14H16N6O/c20-11-13-6-8-14(9-7-13)16-12-22-24-18(21)10-17(23-19(16)24)15-4-2-1-3-5-15;1-20-7-9(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-10(15)8-21;15-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-20(12)14)13-16-8-21-19-13/h6-10,12,15H,1-5,21H2;4-7,10H,2-3,8,15-16H2,1H3;6-9H,1-5,15H2/t;10-;/m.0./s1
• InChIKey: NWVSVGQPWIZGJG-RBPNCNDUSA-N
• XLogP: 6.56
• TPSA: 278.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.07
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 123897376) is 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)cc(N4CC[C@H](N)C4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cc1.Nc1cc(C2CCCCC2)nc2c(-c3ncon3)cnn12.

What is the InChIKey of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NWVSVGQPWIZGJG-RBPNCNDUSA-N. The full InChI is InChI=1S/C19H19N5.C14H18N8.C14H16N6O/c20-11-13-6-8-14(9-7-13)16-12-22-24-18(21)10-17(23-19(16)24)15-4-2-1-3-5-15;1-20-7-9(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-10(15)8-21;15-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-20(12)14)13-16-8-21-19-13/h6-10,12,15H,1-5,21H2;4-7,10H,2-3,8,15-16H2,1H3;6-9H,1-5,15H2/t;10-;/m.0./s1.

What are the key properties of 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 900.07 g/mol, XLogP of 6.56, 6 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzonitrile;5-[(3S)-3-aminopyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123897376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).