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

C15H21N5O — CID 63752907

IUPAC5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)Cc1ccccc1
InChIInChI=1S/C15H21N5O/c1-11-13(14(16)17)15(19(2)18-11)20(8-9-21)10-12-6-4-3-5-7-12/h3-7,21H,8-10H2,1-2H3,(H3,16,17)
InChIKeyFTTLDBVNFSERDD-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.01
Rot. Bonds6

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

5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63752907) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63752907
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)Cc1ccccc1
InChIInChI=1S/C15H21N5O/c1-11-13(14(16)17)15(19(2)18-11)20(8-9-21)10-12-6-4-3-5-7-12/h3-7,21H,8-10H2,1-2H3,(H3,16,17)
InChIKeyFTTLDBVNFSERDD-UHFFFAOYSA-N
XLogP1.01
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 113467795
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 62115998
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
2-[benzyl(2-hydroxyethyl)amino]-6-bromobenzenecarboximidamide
CID 114883755
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 63752907) is 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CCO)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is FTTLDBVNFSERDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-13(14(16)17)15(19(2)18-11)20(8-9-21)10-12-6-4-3-5-7-12/h3-7,21H,8-10H2,1-2H3,(H3,16,17).
What are the key properties of 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63752907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).