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

C15H23N3 — CID 143140261

IUPAC3-tert-butyl-1-phenylpyrazol-5-amine;ethane
SMILESCC.CC(C)(C)c1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N3.C2H6/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10;1-2/h4-9H,14H2,1-3H3;1-2H3
InChIKeyUDZHFPXJAKASIP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.78
Rot. Bonds1

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

3-tert-butyl-1-phenylpyrazol-5-amine;ethane (PubChem CID 143140261) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-tert-butyl-1-phenylpyrazol-5-amine;ethane.

Molecular Properties

Compound Name3-tert-butyl-1-phenylpyrazol-5-amine;ethane
PubChem CID143140261
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-tert-butyl-1-phenylpyrazol-5-amine;ethane
SMILESCC.CC(C)(C)c1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N3.C2H6/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10;1-2/h4-9H,14H2,1-3H3;1-2H3
InChIKeyUDZHFPXJAKASIP-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.78
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;ethane?
The IUPAC name of 3-tert-butyl-1-phenylpyrazol-5-amine;ethane (CID 143140261) is 3-tert-butyl-1-phenylpyrazol-5-amine;ethane.
What is the SMILES notation for 3-tert-butyl-1-phenylpyrazol-5-amine;ethane?
The canonical SMILES for 3-tert-butyl-1-phenylpyrazol-5-amine;ethane is CC.CC(C)(C)c1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of 3-tert-butyl-1-phenylpyrazol-5-amine;ethane?
The InChIKey is UDZHFPXJAKASIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C2H6/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10;1-2/h4-9H,14H2,1-3H3;1-2H3.
What are the key properties of 3-tert-butyl-1-phenylpyrazol-5-amine;ethane?
3-tert-butyl-1-phenylpyrazol-5-amine;ethane has a molecular weight of 245.37 g/mol, XLogP of 3.78, 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;ethane is sourced from PubChem (CID 143140261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).