1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

C12H19N5 — CID 65197153

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCc1nn(C)cc1-c1cnc(C(N)C(C)C)[nH]1
InChIInChI=1S/C12H19N5/c1-7(2)11(13)12-14-5-10(15-12)9-6-17(4)16-8(9)3/h5-7,11H,13H2,1-4H3,(H,14,15)
InChIKeyCBQHGDVPEPFFSG-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.77
Rot. Bonds3

About 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine

1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 65197153) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
PubChem CID65197153
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
SMILESCc1nn(C)cc1-c1cnc(C(N)C(C)C)[nH]1
InChIInChI=1S/C12H19N5/c1-7(2)11(13)12-14-5-10(15-12)9-6-17(4)16-8(9)3/h5-7,11H,13H2,1-4H3,(H,14,15)
InChIKeyCBQHGDVPEPFFSG-UHFFFAOYSA-N
XLogP1.77
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine (CID 65197153) is 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is Cc1nn(C)cc1-c1cnc(C(N)C(C)C)[nH]1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is CBQHGDVPEPFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-7(2)11(13)12-14-5-10(15-12)9-6-17(4)16-8(9)3/h5-7,11H,13H2,1-4H3,(H,14,15).
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine?
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65197153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).