3-tert-butyl-1-phenylpyrazol-5-amine

C13H17N3 — CID 770634

IUPAC3-tert-butyl-1-phenylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChIKeyGFWSTBBSSBVVQP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.75
Rot. Bonds1

About 3-tert-butyl-1-phenylpyrazol-5-amine

3-tert-butyl-1-phenylpyrazol-5-amine (PubChem CID 770634) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-tert-butyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-phenylpyrazol-5-amine
PubChem CID770634
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-tert-butyl-1-phenylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChIKeyGFWSTBBSSBVVQP-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-phenylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-phenylpyrazol-5-amine (CID 770634) is 3-tert-butyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-phenylpyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of 3-tert-butyl-1-phenylpyrazol-5-amine?
The InChIKey is GFWSTBBSSBVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3.
What are the key properties of 3-tert-butyl-1-phenylpyrazol-5-amine?
3-tert-butyl-1-phenylpyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 770634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).