1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine

C12H19N5 — CID 102176082

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1cc(C)n(CNCn2nc(C)cc2C)n1
InChIInChI=1S/C12H19N5/c1-9-5-11(3)16(14-9)7-13-8-17-12(4)6-10(2)15-17/h5-6,13H,7-8H2,1-4H3
InChIKeyRRNJXFGDTADFGR-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.52
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine

1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine (PubChem CID 102176082) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
PubChem CID102176082
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1cc(C)n(CNCn2nc(C)cc2C)n1
InChIInChI=1S/C12H19N5/c1-9-5-11(3)16(14-9)7-13-8-17-12(4)6-10(2)15-17/h5-6,13H,7-8H2,1-4H3
InChIKeyRRNJXFGDTADFGR-UHFFFAOYSA-N
XLogP1.52
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine (CID 102176082) is 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine is Cc1cc(C)n(CNCn2nc(C)cc2C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The InChIKey is RRNJXFGDTADFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-5-11(3)16(14-9)7-13-8-17-12(4)6-10(2)15-17/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine has a molecular weight of 233.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethylpyrazol-1-yl)methyl]methanamine is sourced from PubChem (CID 102176082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).