3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide

C10H19N5 — CID 103003029

IUPAC3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCc1ccnn1C
InChIInChI=1S/C10H19N5/c1-14(8-5-10(11)12)7-4-9-3-6-13-15(9)2/h3,6H,4-5,7-8H2,1-2H3,(H3,11,12)
InChIKeyXUMJBAMSEKXCOY-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.22
Rot. Bonds6

About 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide

3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide (PubChem CID 103003029) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
PubChem CID103003029
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCc1ccnn1C
InChIInChI=1S/C10H19N5/c1-14(8-5-10(11)12)7-4-9-3-6-13-15(9)2/h3,6H,4-5,7-8H2,1-2H3,(H3,11,12)
InChIKeyXUMJBAMSEKXCOY-UHFFFAOYSA-N
XLogP0.22
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide
CID 103003027
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[butyl(methyl)amino]propanimidamide
CID 24696065
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
CID 103002979
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide?
The IUPAC name of 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide (CID 103003029) is 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(C)CCc1ccnn1C.
What is the InChIKey of 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide?
The InChIKey is XUMJBAMSEKXCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-14(8-5-10(11)12)7-4-9-3-6-13-15(9)2/h3,6H,4-5,7-8H2,1-2H3,(H3,11,12).
What are the key properties of 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide?
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide has a molecular weight of 209.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 103003029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).