4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine

C16H23N3 — CID 117397196

IUPAC4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C16H23N3/c1-10(2)12-6-7-13(11(3)4)14(8-12)15-9-18-19(5)16(15)17/h6-11H,17H2,1-5H3
InChIKeyBIPNNWBBWKBXIZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds3

About 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine

4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117397196) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117397196
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C16H23N3/c1-10(2)12-6-7-13(11(3)4)14(8-12)15-9-18-19(5)16(15)17/h6-11H,17H2,1-5H3
InChIKeyBIPNNWBBWKBXIZ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine (CID 117397196) is 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine is CC(C)c1ccc(C(C)C)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is BIPNNWBBWKBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)12-6-7-13(11(3)4)14(8-12)15-9-18-19(5)16(15)17/h6-11H,17H2,1-5H3.
What are the key properties of 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine?
4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117397196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).