2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine

C6H11N5O — CID 102807383

IUPAC2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine
SMILESCc1nn(C)cc1/N=C(\N)NO
InChIInChI=1S/C6H11N5O/c1-4-5(3-11(2)9-4)8-6(7)10-12/h3,12H,1-2H3,(H3,7,8,10)
InChIKeyLZXBXWIYOHORMI-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.35
Rot. Bonds1

About 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine

2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine (PubChem CID 102807383) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine
PubChem CID102807383
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine
SMILESCc1nn(C)cc1/N=C(\N)NO
InChIInChI=1S/C6H11N5O/c1-4-5(3-11(2)9-4)8-6(7)10-12/h3,12H,1-2H3,(H3,7,8,10)
InChIKeyLZXBXWIYOHORMI-UHFFFAOYSA-N
XLogP-0.35
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)guanidine
CID 102805925
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
CID 112670222
4-bromo-1,3-dimethylpyrazole
CID 12615416
1,3-dimethylpyrazole-4-diazonium
CID 12687201
1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 102806211
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103901265
N-amino-N'-cyclohexyl-1,3-dimethylpyrazole-4-carboximidamide
CID 102802248
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine
CID 164925291
4-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]aniline
CID 12845041

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine (CID 102807383) is 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine is Cc1nn(C)cc1/N=C(\N)NO.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine?
The InChIKey is LZXBXWIYOHORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4-5(3-11(2)9-4)8-6(7)10-12/h3,12H,1-2H3,(H3,7,8,10).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine?
2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine has a molecular weight of 169.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-1-hydroxyguanidine is sourced from PubChem (CID 102807383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).