4-(aminomethyl)-1-tert-butylpyrazol-5-amine

C8H16N4 — CID 115069508

IUPAC4-(aminomethyl)-1-tert-butylpyrazol-5-amine
SMILESCC(C)(C)n1ncc(CN)c1N
InChIInChI=1S/C8H16N4/c1-8(2,3)12-7(10)6(4-9)5-11-12/h5H,4,9-10H2,1-3H3
InChIKeyUYYMZIRTEDGBBT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.68
Rot. Bonds1

About 4-(aminomethyl)-1-tert-butylpyrazol-5-amine

4-(aminomethyl)-1-tert-butylpyrazol-5-amine (PubChem CID 115069508) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-tert-butylpyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-tert-butylpyrazol-5-amine
PubChem CID115069508
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-(aminomethyl)-1-tert-butylpyrazol-5-amine
SMILESCC(C)(C)n1ncc(CN)c1N
InChIInChI=1S/C8H16N4/c1-8(2,3)12-7(10)6(4-9)5-11-12/h5H,4,9-10H2,1-3H3
InChIKeyUYYMZIRTEDGBBT-UHFFFAOYSA-N
XLogP0.68
TPSA69.86 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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-tert-butylpyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-1-tert-butylpyrazol-5-amine (CID 115069508) is 4-(aminomethyl)-1-tert-butylpyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-1-tert-butylpyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-1-tert-butylpyrazol-5-amine is CC(C)(C)n1ncc(CN)c1N.
What is the InChIKey of 4-(aminomethyl)-1-tert-butylpyrazol-5-amine?
The InChIKey is UYYMZIRTEDGBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)12-7(10)6(4-9)5-11-12/h5H,4,9-10H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-tert-butylpyrazol-5-amine?
4-(aminomethyl)-1-tert-butylpyrazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-tert-butylpyrazol-5-amine is sourced from PubChem (CID 115069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).