5-tert-butyl-1H-pyrazole-3,4-diamine

C7H14N4 — CID 23298694

IUPAC5-tert-butyl-1H-pyrazole-3,4-diamine
SMILESCC(C)(C)c1[nH]nc(N)c1N
InChIInChI=1S/C7H14N4/c1-7(2,3)5-4(8)6(9)11-10-5/h8H2,1-3H3,(H3,9,10,11)
InChIKeyXVIGOVQRDYZXNN-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.87
Rot. Bonds

About 5-tert-butyl-1H-pyrazole-3,4-diamine

5-tert-butyl-1H-pyrazole-3,4-diamine (PubChem CID 23298694) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-tert-butyl-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-tert-butyl-1H-pyrazole-3,4-diamine
PubChem CID23298694
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-tert-butyl-1H-pyrazole-3,4-diamine
SMILESCC(C)(C)c1[nH]nc(N)c1N
InChIInChI=1S/C7H14N4/c1-7(2,3)5-4(8)6(9)11-10-5/h8H2,1-3H3,(H3,9,10,11)
InChIKeyXVIGOVQRDYZXNN-UHFFFAOYSA-N
XLogP0.87
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-tert-butyl-1H-pyrazole-3,4-diamine (CID 23298694) is 5-tert-butyl-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-tert-butyl-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-tert-butyl-1H-pyrazole-3,4-diamine is CC(C)(C)c1[nH]nc(N)c1N.
What is the InChIKey of 5-tert-butyl-1H-pyrazole-3,4-diamine?
The InChIKey is XVIGOVQRDYZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,3)5-4(8)6(9)11-10-5/h8H2,1-3H3,(H3,9,10,11).
What are the key properties of 5-tert-butyl-1H-pyrazole-3,4-diamine?
5-tert-butyl-1H-pyrazole-3,4-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 23298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).