2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine

C13H22N6 — CID 103572934

IUPAC2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cc(-c2nc(C(C)(C)C)n(N)c2N)cn1
InChIInChI=1S/C13H22N6/c1-5-6-18-8-9(7-16-18)10-11(14)19(15)12(17-10)13(2,3)4/h7-8H,5-6,14-15H2,1-4H3
InChIKeyVDNIGYJWGCBABZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.75
Rot. Bonds3

About 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine

2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine (PubChem CID 103572934) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine
PubChem CID103572934
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cc(-c2nc(C(C)(C)C)n(N)c2N)cn1
InChIInChI=1S/C13H22N6/c1-5-6-18-8-9(7-16-18)10-11(14)19(15)12(17-10)13(2,3)4/h7-8H,5-6,14-15H2,1-4H3
InChIKeyVDNIGYJWGCBABZ-UHFFFAOYSA-N
XLogP1.75
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine?
The IUPAC name of 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine (CID 103572934) is 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine?
The canonical SMILES for 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine is CCCn1cc(-c2nc(C(C)(C)C)n(N)c2N)cn1.
What is the InChIKey of 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine?
The InChIKey is VDNIGYJWGCBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-6-18-8-9(7-16-18)10-11(14)19(15)12(17-10)13(2,3)4/h7-8H,5-6,14-15H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine?
2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine is sourced from PubChem (CID 103572934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).