2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide

C9H16N4 — CID 82875521

IUPAC2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\Cc1ccn(C)n1
InChIInChI=1S/C9H16N4/c1-7(2)9(10)11-6-8-4-5-13(3)12-8/h4-5,7H,6H2,1-3H3,(H2,10,11)
InChIKeyOTTQCUXPCUHMLP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.93
Rot. Bonds3

About 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide

2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide (PubChem CID 82875521) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide
PubChem CID82875521
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\Cc1ccn(C)n1
InChIInChI=1S/C9H16N4/c1-7(2)9(10)11-6-8-4-5-13(3)12-8/h4-5,7H,6H2,1-3H3,(H2,10,11)
InChIKeyOTTQCUXPCUHMLP-UHFFFAOYSA-N
XLogP0.93
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-[2-(1-methylpyrazol-3-yl)ethylimino]but-1-ene-1,2-diamine
CID 138457602
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
(1-methylpyrazol-3-yl)methyl N'-aminocarbamimidothioate
CID 82872071
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
CID 82866740
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide (CID 82875521) is 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide is CC(C)/C(N)=N\Cc1ccn(C)n1.
What is the InChIKey of 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide?
The InChIKey is OTTQCUXPCUHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)9(10)11-6-8-4-5-13(3)12-8/h4-5,7H,6H2,1-3H3,(H2,10,11).
What are the key properties of 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide?
2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(1-methylpyrazol-3-yl)methyl]propanimidamide is sourced from PubChem (CID 82875521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).