5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride

C10H13ClF6N6 — CID 170164234

About 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride

5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride (PubChem CID 170164234) has the molecular formula C10H13ClF6N6 and a molecular weight of 366.70 g/mol. Its IUPAC name is 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride
• PubChem CID: 170164234
• Molecular Formula: C10H13ClF6N6
• Molecular Weight: 366.70 g/mol
• Exact Mass: 366.08
• IUPAC Name: 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride
• SMILES: C[C@H](NNc1nn([C@@H](C)C(F)(F)F)c(N)c1C#N)C(F)(F)F.Cl
• InChI: InChI=1S/C10H12F6N6.ClH/c1-4(9(11,12)13)19-20-8-6(3-17)7(18)22(21-8)5(2)10(14,15)16;/h4-5,19H,18H2,1-2H3,(H,20,21);1H/t4-,5-;/m0./s1
• InChIKey: XZISNBPDYRJNDJ-FHAQVOQBSA-N
• XLogP: 2.75
• TPSA: 91.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.70
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride?

The IUPAC name of 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride (CID 170164234) is 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride.

What is the SMILES notation for 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride?

The canonical SMILES for 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride is C[C@H](NNc1nn([C@@H](C)C(F)(F)F)c(N)c1C#N)C(F)(F)F.Cl.

What is the InChIKey of 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride?

The InChIKey is XZISNBPDYRJNDJ-FHAQVOQBSA-N. The full InChI is InChI=1S/C10H12F6N6.ClH/c1-4(9(11,12)13)19-20-8-6(3-17)7(18)22(21-8)5(2)10(14,15)16;/h4-5,19H,18H2,1-2H3,(H,20,21);1H/t4-,5-;/m0./s1.

What are the key properties of 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride?

5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride has a molecular weight of 366.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[(2S)-1,1,1-trifluoropropan-2-yl]-3-[2-[(2S)-1,1,1-trifluoropropan-2-yl]hydrazinyl]pyrazole-4-carbonitrile;hydrochloride is sourced from PubChem (CID 170164234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).