N'-methyl-1-pyrazol-1-ylmethanediamine

C5H10N4 — CID 58185820

IUPACN'-methyl-1-pyrazol-1-ylmethanediamine
SMILESCNC(N)n1cccn1
InChIInChI=1S/C5H10N4/c1-7-5(6)9-4-2-3-8-9/h2-5,7H,6H2,1H3
InChIKeySSTATYAXXHYXGY-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.48
Rot. Bonds2

About N'-methyl-1-pyrazol-1-ylmethanediamine

N'-methyl-1-pyrazol-1-ylmethanediamine (PubChem CID 58185820) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-methyl-1-pyrazol-1-ylmethanediamine.

Molecular Properties

Compound NameN'-methyl-1-pyrazol-1-ylmethanediamine
PubChem CID58185820
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN'-methyl-1-pyrazol-1-ylmethanediamine
SMILESCNC(N)n1cccn1
InChIInChI=1S/C5H10N4/c1-7-5(6)9-4-2-3-8-9/h2-5,7H,6H2,1H3
InChIKeySSTATYAXXHYXGY-UHFFFAOYSA-N
XLogP-0.48
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-pyrazol-1-ylmethanediamine?
The IUPAC name of N'-methyl-1-pyrazol-1-ylmethanediamine (CID 58185820) is N'-methyl-1-pyrazol-1-ylmethanediamine.
What is the SMILES notation for N'-methyl-1-pyrazol-1-ylmethanediamine?
The canonical SMILES for N'-methyl-1-pyrazol-1-ylmethanediamine is CNC(N)n1cccn1.
What is the InChIKey of N'-methyl-1-pyrazol-1-ylmethanediamine?
The InChIKey is SSTATYAXXHYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-7-5(6)9-4-2-3-8-9/h2-5,7H,6H2,1H3.
What are the key properties of N'-methyl-1-pyrazol-1-ylmethanediamine?
N'-methyl-1-pyrazol-1-ylmethanediamine has a molecular weight of 126.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-pyrazol-1-ylmethanediamine is sourced from PubChem (CID 58185820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).