3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H27N7 — CID 24821169

About 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821169) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 24821169
• Molecular Formula: C19H27N7
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.23
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)N[C@@H]1CCCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)C1
• InChI: InChI=1S/C19H27N7/c1-12(2)23-15-6-4-5-13(7-15)17-8-18(20)26-19(24-17)16(10-22-26)14-9-21-25(3)11-14/h8-13,15,23H,4-7,20H2,1-3H3/t13?,15-/m1/s1
• InChIKey: HOXCAXKCGGUTCJ-AWKYBWMHSA-N
• XLogP: 2.74
• TPSA: 86.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821169) is 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)N[C@@H]1CCCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)C1.

What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HOXCAXKCGGUTCJ-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H27N7/c1-12(2)23-15-6-4-5-13(7-15)17-8-18(20)26-19(24-17)16(10-22-26)14-9-21-25(3)11-14/h8-13,15,23H,4-7,20H2,1-3H3/t13?,15-/m1/s1.

What are the key properties of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?

3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).