1,3-bis(4-methylphenyl)pyrazol-5-amine

C17H17N3 — CID 800457

IUPAC1,3-bis(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-12-3-7-14(8-4-12)16-11-17(18)20(19-16)15-9-5-13(2)6-10-15/h3-11H,18H2,1-2H3
InChIKeyRSDMLVLCJKCMTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds2

About 1,3-bis(4-methylphenyl)pyrazol-5-amine

1,3-bis(4-methylphenyl)pyrazol-5-amine (PubChem CID 800457) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)pyrazol-5-amine
PubChem CID800457
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1,3-bis(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-12-3-7-14(8-4-12)16-11-17(18)20(19-16)15-9-5-13(2)6-10-15/h3-11H,18H2,1-2H3
InChIKeyRSDMLVLCJKCMTK-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1,3-bis(4-methylphenyl)pyrazol-5-amine (CID 800457) is 1,3-bis(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-bis(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1,3-bis(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)pyrazol-5-amine?
The InChIKey is RSDMLVLCJKCMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-3-7-14(8-4-12)16-11-17(18)20(19-16)15-9-5-13(2)6-10-15/h3-11H,18H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)pyrazol-5-amine?
1,3-bis(4-methylphenyl)pyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 800457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).