N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine

C16H23N3 — CID 90709441

IUPACN-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(N(Cc2ccccc2)C(C)(C)C)n1
InChIInChI=1S/C16H23N3/c1-13-11-14(2)19(17-13)18(16(3,4)5)12-15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyBXTAJGXIYYFBCE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds3

About N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine

N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine (PubChem CID 90709441) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine
PubChem CID90709441
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(N(Cc2ccccc2)C(C)(C)C)n1
InChIInChI=1S/C16H23N3/c1-13-11-14(2)19(17-13)18(16(3,4)5)12-15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyBXTAJGXIYYFBCE-UHFFFAOYSA-N
XLogP3.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine?
The IUPAC name of N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine (CID 90709441) is N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine.
What is the SMILES notation for N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine?
The canonical SMILES for N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine is Cc1cc(C)n(N(Cc2ccccc2)C(C)(C)C)n1.
What is the InChIKey of N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine?
The InChIKey is BXTAJGXIYYFBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-11-14(2)19(17-13)18(16(3,4)5)12-15-9-7-6-8-10-15/h6-11H,12H2,1-5H3.
What are the key properties of N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine?
N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-3,5-dimethylpyrazol-1-amine is sourced from PubChem (CID 90709441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).