1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride

C8H18Cl2N4 — CID 18769500

IUPAC1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride
SMILESCc1nn(C(C)(C)C)c(N)c1N.Cl.Cl
InChIInChI=1S/C8H16N4.2ClH/c1-5-6(9)7(10)12(11-5)8(2,3)4;;/h9-10H2,1-4H3;2*1H
InChIKeyHDGGFRKSDWGDFD-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.95
Rot. Bonds

About 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride

1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride (PubChem CID 18769500) has the molecular formula C8H18Cl2N4 and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride.

Molecular Properties

Compound Name1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride
PubChem CID18769500
Molecular FormulaC8H18Cl2N4
Molecular Weight241.17 g/mol
Exact Mass240.09
IUPAC Name1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride
SMILESCc1nn(C(C)(C)C)c(N)c1N.Cl.Cl
InChIInChI=1S/C8H16N4.2ClH/c1-5-6(9)7(10)12(11-5)8(2,3)4;;/h9-10H2,1-4H3;2*1H
InChIKeyHDGGFRKSDWGDFD-UHFFFAOYSA-N
XLogP1.95
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The IUPAC name of 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride (CID 18769500) is 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride.
What is the SMILES notation for 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The canonical SMILES for 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride is Cc1nn(C(C)(C)C)c(N)c1N.Cl.Cl.
What is the InChIKey of 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The InChIKey is HDGGFRKSDWGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4.2ClH/c1-5-6(9)7(10)12(11-5)8(2,3)4;;/h9-10H2,1-4H3;2*1H.
What are the key properties of 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride has a molecular weight of 241.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylpyrazole-4,5-diamine;dihydrochloride is sourced from PubChem (CID 18769500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).