5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

C11H21N5O2 — CID 113467795

IUPAC5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CCOC
InChIInChI=1S/C11H21N5O2/c1-8-9(10(12)13)11(15(2)14-8)16(4-6-17)5-7-18-3/h17H,4-7H2,1-3H3,(H3,12,13)
InChIKeyAZNVKDOHFZYFNS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.54
Rot. Bonds7

About 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 113467795) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID113467795
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CCOC
InChIInChI=1S/C11H21N5O2/c1-8-9(10(12)13)11(15(2)14-8)16(4-6-17)5-7-18-3/h17H,4-7H2,1-3H3,(H3,12,13)
InChIKeyAZNVKDOHFZYFNS-UHFFFAOYSA-N
XLogP-0.54
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752907
2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
CID 113467892
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methoxyethyl)amino]ethanol
CID 113467651
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
5-[butyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756528
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 113467795) is 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CCOC.
What is the InChIKey of 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is AZNVKDOHFZYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-8-9(10(12)13)11(15(2)14-8)16(4-6-17)5-7-18-3/h17H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 113467795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).