3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide

C9H17N5 — CID 61491625

IUPAC3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCn1cccn1
InChIInChI=1S/C9H17N5/c1-13(6-3-9(10)11)7-8-14-5-2-4-12-14/h2,4-5H,3,6-8H2,1H3,(H3,10,11)
InChIKeyPSJLIGWVXBLYIY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.14
Rot. Bonds6

About 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide

3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide (PubChem CID 61491625) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
PubChem CID61491625
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCn1cccn1
InChIInChI=1S/C9H17N5/c1-13(6-3-9(10)11)7-8-14-5-2-4-12-14/h2,4-5H,3,6-8H2,1H3,(H3,10,11)
InChIKeyPSJLIGWVXBLYIY-UHFFFAOYSA-N
XLogP0.14
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.14
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-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
3-[methyl(2-pyrazol-1-ylethyl)amino]propanenitrile
CID 61491798
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
CID 103003029
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928890
2,2-dimethyl-5-pyrazol-1-ylpentanimidamide
CID 65258391
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide
CID 166884819
N'-methyl-N-(2-methylpropyl)-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 62592776

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide (CID 61491625) is 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCn1cccn1.
What is the InChIKey of 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide?
The InChIKey is PSJLIGWVXBLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13(6-3-9(10)11)7-8-14-5-2-4-12-14/h2,4-5H,3,6-8H2,1H3,(H3,10,11).
What are the key properties of 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide?
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide has a molecular weight of 195.27 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide is sourced from PubChem (CID 61491625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).