3-N-tert-butyl-1-methylpyrazole-3,4-diamine

C8H16N4 — CID 103077897

IUPAC3-N-tert-butyl-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-7-6(9)5-12(4)11-7/h5H,9H2,1-4H3,(H,10,11)
InChIKeyJXDFIVOZCUANHD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds1

About 3-N-tert-butyl-1-methylpyrazole-3,4-diamine

3-N-tert-butyl-1-methylpyrazole-3,4-diamine (PubChem CID 103077897) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-N-tert-butyl-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-1-methylpyrazole-3,4-diamine
PubChem CID103077897
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-N-tert-butyl-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-7-6(9)5-12(4)11-7/h5H,9H2,1-4H3,(H,10,11)
InChIKeyJXDFIVOZCUANHD-UHFFFAOYSA-N
XLogP1.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
CID 164654726
3-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3,4-diamine
CID 103078310
3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078928
1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
CID 103078765
3-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078653
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066
1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
CID 103078529
1-[(4-amino-1-methylpyrazol-3-yl)amino]-3-ethylpentan-2-ol
CID 106284296
4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
CID 103078659
3-N-[(E)-3-cyclopropylprop-2-enyl]-1-methylpyrazole-3,4-diamine
CID 131231967

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-tert-butyl-1-methylpyrazole-3,4-diamine (CID 103077897) is 3-N-tert-butyl-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-tert-butyl-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-tert-butyl-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NC(C)(C)C)n1.
What is the InChIKey of 3-N-tert-butyl-1-methylpyrazole-3,4-diamine?
The InChIKey is JXDFIVOZCUANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)10-7-6(9)5-12(4)11-7/h5H,9H2,1-4H3,(H,10,11).
What are the key properties of 3-N-tert-butyl-1-methylpyrazole-3,4-diamine?
3-N-tert-butyl-1-methylpyrazole-3,4-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103077897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).