N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide

C6H9N5 — CID 163908268

IUPACN'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
SMILESC=Nc1[nH]ncc1/C(N)=N/C
InChIInChI=1S/C6H9N5/c1-8-5(7)4-3-10-11-6(4)9-2/h3H,2H2,1H3,(H2,7,8)(H,10,11)
InChIKeyQPWDXLCYNJJEIP-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.08
Rot. Bonds2

About N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide

N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide (PubChem CID 163908268) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
PubChem CID163908268
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC NameN'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
SMILESC=Nc1[nH]ncc1/C(N)=N/C
InChIInChI=1S/C6H9N5/c1-8-5(7)4-3-10-11-6(4)9-2/h3H,2H2,1H3,(H2,7,8)(H,10,11)
InChIKeyQPWDXLCYNJJEIP-UHFFFAOYSA-N
XLogP0.08
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide?
The IUPAC name of N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide (CID 163908268) is N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide?
The canonical SMILES for N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide is C=Nc1[nH]ncc1/C(N)=N/C.
What is the InChIKey of N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide?
The InChIKey is QPWDXLCYNJJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-8-5(7)4-3-10-11-6(4)9-2/h3H,2H2,1H3,(H2,7,8)(H,10,11).
What are the key properties of N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide?
N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 163908268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).