2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine

C7H11N5O — CID 134421050

IUPAC2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\c1cnn(CCO)c1
InChIInChI=1S/C7H11N5O/c1-9-7(8)11-6-4-10-12(5-6)2-3-13/h4-5,13H,1-3H2,(H2,8,11)
InChIKeyQDXFOWXDWUHOQH-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.48
Rot. Bonds3

About 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine

2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine (PubChem CID 134421050) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine
PubChem CID134421050
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\c1cnn(CCO)c1
InChIInChI=1S/C7H11N5O/c1-9-7(8)11-6-4-10-12(5-6)2-3-13/h4-5,13H,1-3H2,(H2,8,11)
InChIKeyQDXFOWXDWUHOQH-UHFFFAOYSA-N
XLogP-0.48
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.48
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

2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine
CID 125498931
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CID 7172186
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CID 99962349
2-[4-[(1-aminocyclopropyl)methyl]pyrazol-1-yl]ethanol
CID 105439525
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
CID 130615801
[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
CID 125497935
2-(4-butan-2-ylpyrazol-1-yl)ethanol
CID 146424198
N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
4-nitroso-1-propylpyrazole
CID 145426566
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine?
The IUPAC name of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine (CID 134421050) is 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine?
The canonical SMILES for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine is C=N/C(N)=N\c1cnn(CCO)c1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine?
The InChIKey is QDXFOWXDWUHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-9-7(8)11-6-4-10-12(5-6)2-3-13/h4-5,13H,1-3H2,(H2,8,11).
What are the key properties of 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine?
2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine has a molecular weight of 181.20 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1-methylideneguanidine is sourced from PubChem (CID 134421050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).