3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide

C10H19N5 — CID 82866218

IUPAC3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)Cc1ccn(C)n1
InChIInChI=1S/C10H19N5/c1-8(6-10(11)12)14(2)7-9-4-5-15(3)13-9/h4-5,8H,6-7H2,1-3H3,(H3,11,12)
InChIKeyGBQLOPLTBKWHEO-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.57
Rot. Bonds5

About 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide

3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide (PubChem CID 82866218) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
PubChem CID82866218
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)Cc1ccn(C)n1
InChIInChI=1S/C10H19N5/c1-8(6-10(11)12)14(2)7-9-4-5-15(3)13-9/h4-5,8H,6-7H2,1-3H3,(H3,11,12)
InChIKeyGBQLOPLTBKWHEO-UHFFFAOYSA-N
XLogP0.57
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.57
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

N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
CID 82866740
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 104792308
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501
3-(diethylamino)butanimidamide
CID 60913341
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
3-[(3-chloro-2-pyridinyl)-methylamino]butanimidamide
CID 63224568
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The IUPAC name of 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide (CID 82866218) is 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide.
What is the SMILES notation for 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The canonical SMILES for 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)Cc1ccn(C)n1.
What is the InChIKey of 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The InChIKey is GBQLOPLTBKWHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(6-10(11)12)14(2)7-9-4-5-15(3)13-9/h4-5,8H,6-7H2,1-3H3,(H3,11,12).
What are the key properties of 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide has a molecular weight of 209.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide is sourced from PubChem (CID 82866218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).