cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride

C17H23ClN6 — CID 172552286

About cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride

cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride (PubChem CID 172552286) has the molecular formula C17H23ClN6 and a molecular weight of 346.87 g/mol. Its IUPAC name is cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
• PubChem CID: 172552286
• Molecular Formula: C17H23ClN6
• Molecular Weight: 346.87 g/mol
• Exact Mass: 346.17
• IUPAC Name: cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride
• SMILES: CN[C@H]1CCC[C@@H](c2nc(-c3cnn(C)c3)cn3nccc23)C1.Cl
• InChI: InChI=1S/C17H22N6.ClH/c1-18-14-5-3-4-12(8-14)17-16-6-7-19-23(16)11-15(21-17)13-9-20-22(2)10-13;/h6-7,9-12,14,18H,3-5,8H2,1-2H3;1H/t12-,14+;/m1./s1
• InChIKey: MZYVDUVRFVFLHL-OJMBIDBESA-N
• XLogP: 2.80
• TPSA: 60.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.87
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride?

The IUPAC name of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride (CID 172552286) is cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride.

What is the SMILES notation for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride?

The canonical SMILES for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride is CN[C@H]1CCC[C@@H](c2nc(-c3cnn(C)c3)cn3nccc23)C1.Cl.

What is the InChIKey of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride?

The InChIKey is MZYVDUVRFVFLHL-OJMBIDBESA-N. The full InChI is InChI=1S/C17H22N6.ClH/c1-18-14-5-3-4-12(8-14)17-16-6-7-19-23(16)11-15(21-17)13-9-20-22(2)10-13;/h6-7,9-12,14,18H,3-5,8H2,1-2H3;1H/t12-,14+;/m1./s1.

What are the key properties of cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride?

cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride has a molecular weight of 346.87 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 172552286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).