1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine

C16H23N3 — CID 82089365

IUPAC1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H23N3/c1-5-6-13-11-15(17)19(18-13)14-9-7-12(8-10-14)16(2,3)4/h7-11H,5-6,17H2,1-4H3
InChIKeyGPEQHYKHLWAXEB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine

1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine (PubChem CID 82089365) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
PubChem CID82089365
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H23N3/c1-5-6-13-11-15(17)19(18-13)14-9-7-12(8-10-14)16(2,3)4/h7-11H,5-6,17H2,1-4H3
InChIKeyGPEQHYKHLWAXEB-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine (CID 82089365) is 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine is CCCc1cc(N)n(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine?
The InChIKey is GPEQHYKHLWAXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-6-13-11-15(17)19(18-13)14-9-7-12(8-10-14)16(2,3)4/h7-11H,5-6,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine?
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 82089365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).