5-(4-tert-butylphenyl)-1H-pyrazol-3-amine

C13H17N3 — CID 2818896

IUPAC5-(4-tert-butylphenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyFIMVEZWTACFRMZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.96
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine

5-(4-tert-butylphenyl)-1H-pyrazol-3-amine (PubChem CID 2818896) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1H-pyrazol-3-amine
PubChem CID2818896
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(4-tert-butylphenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16)
InChIKeyFIMVEZWTACFRMZ-UHFFFAOYSA-N
XLogP2.96
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine (CID 2818896) is 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine is CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine?
The InChIKey is FIMVEZWTACFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(14)16-15-11/h4-8H,1-3H3,(H3,14,15,16).
What are the key properties of 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine?
5-(4-tert-butylphenyl)-1H-pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 2818896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).