3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine

C15H25N5 — CID 62220408

IUPAC3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C15H25N5/c1-6-7-8-20-13(16)12(11-9-17-19(5)10-11)18-14(20)15(2,3)4/h9-10H,6-8,16H2,1-5H3
InChIKeyXJRQKOVJIISBRU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.96
Rot. Bonds4

About 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine

3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine (PubChem CID 62220408) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
PubChem CID62220408
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C15H25N5/c1-6-7-8-20-13(16)12(11-9-17-19(5)10-11)18-14(20)15(2,3)4/h9-10H,6-8,16H2,1-5H3
InChIKeyXJRQKOVJIISBRU-UHFFFAOYSA-N
XLogP2.96
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine (CID 62220408) is 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine is CCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2)c1N.
What is the InChIKey of 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine?
The InChIKey is XJRQKOVJIISBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-6-7-8-20-13(16)12(11-9-17-19(5)10-11)18-14(20)15(2,3)4/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine?
3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 62220408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).