1-benzyl-3-tert-butylpyrazol-5-amine

C14H19N3 — CID 16769290

IUPAC1-benzyl-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-14(2,3)12-9-13(15)17(16-12)10-11-7-5-4-6-8-11/h4-9H,10,15H2,1-3H3
InChIKeyHOUXXJHKQHEAJO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.81
Rot. Bonds2

About 1-benzyl-3-tert-butylpyrazol-5-amine

1-benzyl-3-tert-butylpyrazol-5-amine (PubChem CID 16769290) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-benzyl-3-tert-butylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-tert-butylpyrazol-5-amine
PubChem CID16769290
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-benzyl-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-14(2,3)12-9-13(15)17(16-12)10-11-7-5-4-6-8-11/h4-9H,10,15H2,1-3H3
InChIKeyHOUXXJHKQHEAJO-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-tert-butylpyrazol-5-amine (CID 16769290) is 1-benzyl-3-tert-butylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-tert-butylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-tert-butylpyrazol-5-amine is CC(C)(C)c1cc(N)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-tert-butylpyrazol-5-amine?
The InChIKey is HOUXXJHKQHEAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)12-9-13(15)17(16-12)10-11-7-5-4-6-8-11/h4-9H,10,15H2,1-3H3.
What are the key properties of 1-benzyl-3-tert-butylpyrazol-5-amine?
1-benzyl-3-tert-butylpyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butylpyrazol-5-amine is sourced from PubChem (CID 16769290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).