5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C62H84N18 — CID 123470664

About 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123470664) has the molecular formula C62H84N18 and a molecular weight of 1081.48 g/mol. Its IUPAC name is 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 123470664
• Molecular Formula: C62H84N18
• Molecular Weight: 1081.48 g/mol
• Exact Mass: 1080.71
• IUPAC Name: 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCNc1cc(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCC4CCCC4)cc(C4CCCCC4)nc23)cn1
• InChI: InChI=1S/2C22H30N6.C18H24N6/c1-27-15-17(13-23-27)19-14-24-28-21(25-18-10-6-3-7-11-18)12-20(26-22(19)28)16-8-4-2-5-9-16;1-27-15-18(13-24-27)19-14-25-28-21(23-12-16-7-5-6-8-16)11-20(26-22(19)28)17-9-3-2-4-10-17;1-3-19-17-9-16(13-7-5-4-6-8-13)22-18-15(11-21-24(17)18)14-10-20-23(2)12-14/h12-16,18,25H,2-11H2,1H3;11,13-17,23H,2-10,12H2,1H3;9-13,19H,3-8H2,1-2H3
• InChIKey: NRRDAJVUVFSDDX-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 180.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.48
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 123470664) is 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCNc1cc(C2CCCCC2)nc2c(-c3cnn(C)c3)cnn12.Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(NCC4CCCC4)cc(C4CCCCC4)nc23)cn1.

What is the InChIKey of 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NRRDAJVUVFSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H30N6.C18H24N6/c1-27-15-17(13-23-27)19-14-24-28-21(25-18-10-6-3-7-11-18)12-20(26-22(19)28)16-8-4-2-5-9-16;1-27-15-18(13-24-27)19-14-25-28-21(23-12-16-7-5-6-8-16)11-20(26-22(19)28)17-9-3-2-4-10-17;1-3-19-17-9-16(13-7-5-4-6-8-13)22-18-15(11-21-24(17)18)14-10-20-23(2)12-14/h12-16,18,25H,2-11H2,1H3;11,13-17,23H,2-10,12H2,1H3;9-13,19H,3-8H2,1-2H3.

What are the key properties of 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1081.48 g/mol, XLogP of 13.31, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123470664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).