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

C14H19N5 — CID 83091694

IUPAC5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2cn(C)nc2C(C)(C)C)c1N
InChIInChI=1S/C14H19N5/c1-6-7-19-9-16-11(13(19)15)10-8-18(5)17-12(10)14(2,3)4/h1,8-9H,7,15H2,2-5H3
InChIKeyADXZWFSBUWFVEZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.80
Rot. Bonds2

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

5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 83091694) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
PubChem CID83091694
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1cnc(-c2cn(C)nc2C(C)(C)C)c1N
InChIInChI=1S/C14H19N5/c1-6-7-19-9-16-11(13(19)15)10-8-18(5)17-12(10)14(2,3)4/h1,8-9H,7,15H2,2-5H3
InChIKeyADXZWFSBUWFVEZ-UHFFFAOYSA-N
XLogP1.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine (CID 83091694) is 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine is C#CCn1cnc(-c2cn(C)nc2C(C)(C)C)c1N.
What is the InChIKey of 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is ADXZWFSBUWFVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-6-7-19-9-16-11(13(19)15)10-8-18(5)17-12(10)14(2,3)4/h1,8-9H,7,15H2,2-5H3.
What are the key properties of 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 83091694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).