N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine

C15H24N6 — CID 124963578

About N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine

N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine (PubChem CID 124963578) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
• PubChem CID: 124963578
• Molecular Formula: C15H24N6
• Molecular Weight: 288.40 g/mol
• Exact Mass: 288.21
• IUPAC Name: N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
• SMILES: Cc1[nH]ncc1CN1CC[C@H](c2ncc(CN(C)C)[nH]2)C1
• InChI: InChI=1S/C15H24N6/c1-11-13(6-17-19-11)9-21-5-4-12(8-21)15-16-7-14(18-15)10-20(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,18)(H,17,19)/t12-/m0/s1
• InChIKey: HRHCLDOUXBYMMZ-LBPRGKRZSA-N
• XLogP: 1.49
• TPSA: 63.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.40
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?

The IUPAC name of N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine (CID 124963578) is N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine.

What is the SMILES notation for N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?

The canonical SMILES for N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine is Cc1[nH]ncc1CN1CC[C@H](c2ncc(CN(C)C)[nH]2)C1.

What is the InChIKey of N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?

The InChIKey is HRHCLDOUXBYMMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6/c1-11-13(6-17-19-11)9-21-5-4-12(8-21)15-16-7-14(18-15)10-20(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,18)(H,17,19)/t12-/m0/s1.

What are the key properties of N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?

N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine has a molecular weight of 288.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 124963578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).