1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine

C9H19N5 — CID 23496362

IUPAC1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine
SMILESCNCc1nn(C(C)(C)C)c(N)c1N
InChIInChI=1S/C9H19N5/c1-9(2,3)14-8(11)7(10)6(13-14)5-12-4/h12H,5,10-11H2,1-4H3
InChIKeySPBCHMUZYUCEIW-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.52
Rot. Bonds2

About 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine

1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine (PubChem CID 23496362) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine
PubChem CID23496362
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine
SMILESCNCc1nn(C(C)(C)C)c(N)c1N
InChIInChI=1S/C9H19N5/c1-9(2,3)14-8(11)7(10)6(13-14)5-12-4/h12H,5,10-11H2,1-4H3
InChIKeySPBCHMUZYUCEIW-UHFFFAOYSA-N
XLogP0.52
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine (CID 23496362) is 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine is CNCc1nn(C(C)(C)C)c(N)c1N.
What is the InChIKey of 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine?
The InChIKey is SPBCHMUZYUCEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-9(2,3)14-8(11)7(10)6(13-14)5-12-4/h12H,5,10-11H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine?
1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(methylaminomethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 23496362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).