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

C11H17N5 — CID 65459125

IUPAC2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCc1nn(C)cc1-c1cnc(C(C)(C)N)[nH]1
InChIInChI=1S/C11H17N5/c1-7-8(6-16(4)15-7)9-5-13-10(14-9)11(2,3)12/h5-6H,12H2,1-4H3,(H,13,14)
InChIKeyQWQLXHVLVGUCMS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds2

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

2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65459125) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID65459125
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCc1nn(C)cc1-c1cnc(C(C)(C)N)[nH]1
InChIInChI=1S/C11H17N5/c1-7-8(6-16(4)15-7)9-5-13-10(14-9)11(2,3)12/h5-6H,12H2,1-4H3,(H,13,14)
InChIKeyQWQLXHVLVGUCMS-UHFFFAOYSA-N
XLogP1.31
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine (CID 65459125) is 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine is Cc1nn(C)cc1-c1cnc(C(C)(C)N)[nH]1.
What is the InChIKey of 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is QWQLXHVLVGUCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-8(6-16(4)15-7)9-5-13-10(14-9)11(2,3)12/h5-6H,12H2,1-4H3,(H,13,14).
What are the key properties of 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine?
2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65459125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).