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

C13H17N3 — CID 11991203

IUPAC1-tert-butyl-3-phenylpyrazol-5-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H17N3/c1-13(2,3)16-12(14)9-11(15-16)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChIKeyRNVAHWVDOAYMFU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds1

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

1-tert-butyl-3-phenylpyrazol-5-amine (PubChem CID 11991203) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-tert-butyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-phenylpyrazol-5-amine
PubChem CID11991203
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-tert-butyl-3-phenylpyrazol-5-amine
SMILESCC(C)(C)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H17N3/c1-13(2,3)16-12(14)9-11(15-16)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
InChIKeyRNVAHWVDOAYMFU-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-phenylpyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-phenylpyrazol-5-amine (CID 11991203) is 1-tert-butyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-phenylpyrazol-5-amine is CC(C)(C)n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 1-tert-butyl-3-phenylpyrazol-5-amine?
The InChIKey is RNVAHWVDOAYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)16-12(14)9-11(15-16)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3.
What are the key properties of 1-tert-butyl-3-phenylpyrazol-5-amine?
1-tert-butyl-3-phenylpyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 11991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).