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

C16H27N5 — CID 79570429

IUPAC3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3
InChIKeyPCZOVPMOYQLKJY-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.27
Rot. Bonds4

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

3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine (PubChem CID 79570429) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
PubChem CID79570429
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3
InChIKeyPCZOVPMOYQLKJY-UHFFFAOYSA-N
XLogP3.27
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.27
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-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine (CID 79570429) is 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine is CCCCn1c(C(C)(C)C)nc(-c2cnn(C)c2C)c1N.
What is the InChIKey of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
The InChIKey is PCZOVPMOYQLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-7-8-9-21-14(17)13(19-15(21)16(3,4)5)12-10-18-20(6)11(12)2/h10H,7-9,17H2,1-6H3.
What are the key properties of 3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine?
3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine has a molecular weight of 289.43 g/mol, XLogP of 3.27, 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-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 79570429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).