N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride

C16H28ClN5 — CID 126965951

About N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride

N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126965951) has the molecular formula C16H28ClN5 and a molecular weight of 325.89 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

• Compound Name: N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
• PubChem CID: 126965951
• Molecular Formula: C16H28ClN5
• Molecular Weight: 325.89 g/mol
• Exact Mass: 325.20
• IUPAC Name: N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
• SMILES: CCCn1nc(C)cc1CNCc1cc(C(C)C)nn1C.Cl
• InChI: InChI=1S/C16H27N5.ClH/c1-6-7-21-15(8-13(4)18-21)11-17-10-14-9-16(12(2)3)19-20(14)5;/h8-9,12,17H,6-7,10-11H2,1-5H3;1H
• InChIKey: QISCYBZJMNREJZ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 47.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.89
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?

The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126965951) is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride.

What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?

The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1nc(C)cc1CNCc1cc(C(C)C)nn1C.Cl.

What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?

The InChIKey is QISCYBZJMNREJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.ClH/c1-6-7-21-15(8-13(4)18-21)11-17-10-14-9-16(12(2)3)19-20(14)5;/h8-9,12,17H,6-7,10-11H2,1-5H3;1H.

What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride?

N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 325.89 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).