4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide

C7H11N5 — CID 166739034

IUPAC4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide
SMILESC=Cc1cn[nH]c1/C(N)=N\NC
InChIInChI=1S/C7H11N5/c1-3-5-4-10-11-6(5)7(8)12-9-2/h3-4,9H,1H2,2H3,(H2,8,12)(H,10,11)
InChIKeySKPNCZIQTHPHMH-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.11
Rot. Bonds3

About 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide

4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide (PubChem CID 166739034) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide.

Molecular Properties

Compound Name4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide
PubChem CID166739034
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide
SMILESC=Cc1cn[nH]c1/C(N)=N\NC
InChIInChI=1S/C7H11N5/c1-3-5-4-10-11-6(5)7(8)12-9-2/h3-4,9H,1H2,2H3,(H2,8,12)(H,10,11)
InChIKeySKPNCZIQTHPHMH-UHFFFAOYSA-N
XLogP-0.11
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-5-methoxy-1H-pyrazole
CID 121446363
N'-(methylamino)pyrimidine-5-carboximidamide
CID 67042368
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
(Z)-2-(4-ethenyl-1H-pyrazol-5-yl)ethenamine
CID 129204058
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
N-[(E)-1-phenylprop-2-enylideneamino]methanamine
CID 144603752
5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
CID 167231357
4-(pentan-3-ylamino)-1H-pyrazole-5-carboxamide
CID 143263888
6-methyl-N'-(methylamino)pyridine-2-carboximidamide
CID 14328308
N'-methyl-5-(methylideneamino)-1H-pyrazole-4-carboximidamide
CID 163908268

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide?
The IUPAC name of 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide (CID 166739034) is 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide.
What is the SMILES notation for 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide?
The canonical SMILES for 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide is C=Cc1cn[nH]c1/C(N)=N\NC.
What is the InChIKey of 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide?
The InChIKey is SKPNCZIQTHPHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-3-5-4-10-11-6(5)7(8)12-9-2/h3-4,9H,1H2,2H3,(H2,8,12)(H,10,11).
What are the key properties of 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide?
4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide has a molecular weight of 165.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N'-(methylamino)-1H-pyrazole-5-carboximidamide is sourced from PubChem (CID 166739034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).