3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide

C15H21N5 — CID 103003027

IUPAC3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H21N5/c1-19-13(7-10-18-19)8-11-20(12-9-15(16)17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H3,16,17)
InChIKeyQFPRAQIGFVZATC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.80
Rot. Bonds7

About 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide

3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide (PubChem CID 103003027) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide.

Molecular Properties

Compound Name3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide
PubChem CID103003027
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H21N5/c1-19-13(7-10-18-19)8-11-20(12-9-15(16)17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H3,16,17)
InChIKeyQFPRAQIGFVZATC-UHFFFAOYSA-N
XLogP1.80
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.80
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-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
CID 103003029
3-[N-[(2-methylpyrazol-3-yl)methyl]anilino]propanoic acid
CID 65059465
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
CID 79267977
4-(N-ethylanilino)butanimidamide
CID 24691564
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide
CID 55111525
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625
3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648348
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
3-amino-4-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzoic acid
CID 103003382
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide?
The IUPAC name of 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide (CID 103003027) is 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide.
What is the SMILES notation for 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide?
The canonical SMILES for 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide is [H]/N=C(\N)CCN(CCc1ccnn1C)c1ccccc1.
What is the InChIKey of 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide?
The InChIKey is QFPRAQIGFVZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-13(7-10-18-19)8-11-20(12-9-15(16)17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H3,16,17).
What are the key properties of 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide?
3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide has a molecular weight of 271.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide is sourced from PubChem (CID 103003027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).