2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine

C15H25N5 — CID 79584029

IUPAC2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
SMILESCc1c(-c2nc(C(C)(C)C)n(C(C)C)c2N)cnn1C
InChIInChI=1S/C15H25N5/c1-9(2)20-13(16)12(18-14(20)15(4,5)6)11-8-17-19(7)10(11)3/h8-9H,16H2,1-7H3
InChIKeyPUGCXQZXQDXXAE-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.05
Rot. Bonds2

About 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine

2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine (PubChem CID 79584029) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
PubChem CID79584029
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
SMILESCc1c(-c2nc(C(C)(C)C)n(C(C)C)c2N)cnn1C
InChIInChI=1S/C15H25N5/c1-9(2)20-13(16)12(18-14(20)15(4,5)6)11-8-17-19(7)10(11)3/h8-9H,16H2,1-7H3
InChIKeyPUGCXQZXQDXXAE-UHFFFAOYSA-N
XLogP3.05
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine (CID 79584029) is 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine is Cc1c(-c2nc(C(C)(C)C)n(C(C)C)c2N)cnn1C.
What is the InChIKey of 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is PUGCXQZXQDXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-9(2)20-13(16)12(18-14(20)15(4,5)6)11-8-17-19(7)10(11)3/h8-9H,16H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine?
2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 79584029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).