[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine

C16H19N5 — CID 166257821

IUPAC[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine
SMILESCc1cc(C)n(-c2ccc(-c3cnn(C)c3CN)cc2)n1
InChIInChI=1S/C16H19N5/c1-11-8-12(2)21(19-11)14-6-4-13(5-7-14)15-10-18-20(3)16(15)9-17/h4-8,10H,9,17H2,1-3H3
InChIKeyYXTUTEAAOBXODU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.35
Rot. Bonds3

About [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine

[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine (PubChem CID 166257821) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine
PubChem CID166257821
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine
SMILESCc1cc(C)n(-c2ccc(-c3cnn(C)c3CN)cc2)n1
InChIInChI=1S/C16H19N5/c1-11-8-12(2)21(19-11)14-6-4-13(5-7-14)15-10-18-20(3)16(15)9-17/h4-8,10H,9,17H2,1-3H3
InChIKeyYXTUTEAAOBXODU-UHFFFAOYSA-N
XLogP2.35
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine?
The IUPAC name of [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine (CID 166257821) is [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine.
What is the SMILES notation for [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine?
The canonical SMILES for [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine is Cc1cc(C)n(-c2ccc(-c3cnn(C)c3CN)cc2)n1.
What is the InChIKey of [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine?
The InChIKey is YXTUTEAAOBXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-8-12(2)21(19-11)14-6-4-13(5-7-14)15-10-18-20(3)16(15)9-17/h4-8,10H,9,17H2,1-3H3.
What are the key properties of [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine?
[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine is sourced from PubChem (CID 166257821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).