N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C6H11N3 — CID 565445

IUPACN-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNCc1cnn(C)c1
InChIInChI=1S/C6H11N3/c1-7-3-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3
InChIKeyLEHGOSZFUSOULZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.14
Rot. Bonds2

About N-methyl-1-(1-methylpyrazol-4-yl)methanamine

N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 565445) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID565445
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNCc1cnn(C)c1
InChIInChI=1S/C6H11N3/c1-7-3-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3
InChIKeyLEHGOSZFUSOULZ-UHFFFAOYSA-N
XLogP0.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 565445) is N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNCc1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is LEHGOSZFUSOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-7-3-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 565445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).