1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine

C16H23N3 — CID 134594215

IUPAC1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(C(C)(C)C)nc1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-11-7-8-12(2)13(9-11)15-14(17-6)10-19(18-15)16(3,4)5/h7-10,17H,1-6H3
InChIKeyZBFFTOJKQFHNLH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.96
Rot. Bonds2

About 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine

1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine (PubChem CID 134594215) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine
PubChem CID134594215
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(C(C)(C)C)nc1-c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-11-7-8-12(2)13(9-11)15-14(17-6)10-19(18-15)16(3,4)5/h7-10,17H,1-6H3
InChIKeyZBFFTOJKQFHNLH-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine?
The IUPAC name of 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine (CID 134594215) is 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine is CNc1cn(C(C)(C)C)nc1-c1cc(C)ccc1C.
What is the InChIKey of 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine?
The InChIKey is ZBFFTOJKQFHNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-7-8-12(2)13(9-11)15-14(17-6)10-19(18-15)16(3,4)5/h7-10,17H,1-6H3.
What are the key properties of 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine?
1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 134594215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).