1-benzyl-3-methyl-4-phenylpyrazol-5-amine

C17H17N3 — CID 684795

IUPAC1-benzyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(Cc2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h2-11H,12,18H2,1H3
InChIKeyCGSJJYIENDHVNV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds3

About 1-benzyl-3-methyl-4-phenylpyrazol-5-amine

1-benzyl-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 684795) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-phenylpyrazol-5-amine
PubChem CID684795
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-benzyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(Cc2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h2-11H,12,18H2,1H3
InChIKeyCGSJJYIENDHVNV-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-methyl-4-phenylpyrazol-5-amine (CID 684795) is 1-benzyl-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-benzyl-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is CGSJJYIENDHVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-16(15-10-6-3-7-11-15)17(18)20(19-13)12-14-8-4-2-5-9-14/h2-11H,12,18H2,1H3.
What are the key properties of 1-benzyl-3-methyl-4-phenylpyrazol-5-amine?
1-benzyl-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 684795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).