N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide

C7H12N4 — CID 592274

IUPACN,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide
SMILESCc1cc(/N=C/N(C)C)n[nH]1
InChIInChI=1S/C7H12N4/c1-6-4-7(10-9-6)8-5-11(2)3/h4-5H,1-3H3,(H,9,10)/b8-5+
InChIKeyVEBOLPYVBWARQY-VMPITWQZSA-N
MW152.20 g/mol
LogP0.94
Rot. Bonds2

About N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide

N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide (PubChem CID 592274) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide
PubChem CID592274
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide
SMILESCc1cc(/N=C/N(C)C)n[nH]1
InChIInChI=1S/C7H12N4/c1-6-4-7(10-9-6)8-5-11(2)3/h4-5H,1-3H3,(H,9,10)/b8-5+
InChIKeyVEBOLPYVBWARQY-VMPITWQZSA-N
XLogP0.94
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide (CID 592274) is N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide is Cc1cc(/N=C/N(C)C)n[nH]1.
What is the InChIKey of N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide?
The InChIKey is VEBOLPYVBWARQY-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-4-7(10-9-6)8-5-11(2)3/h4-5H,1-3H3,(H,9,10)/b8-5+.
What are the key properties of N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide?
N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-methyl-1H-pyrazol-3-yl)methanimidamide is sourced from PubChem (CID 592274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).