2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide

C12H24N6O — CID 55050607

IUPAC2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1c(C)nn(C)c1NN
InChIInChI=1S/C12H24N6O/c1-5-6-14-11(19)8-17(3)7-10-9(2)16-18(4)12(10)15-13/h15H,5-8,13H2,1-4H3,(H,14,19)
InChIKeyBDAXHMBMTPCSTH-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.03
Rot. Bonds7

About 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide

2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 55050607) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
PubChem CID55050607
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1c(C)nn(C)c1NN
InChIInChI=1S/C12H24N6O/c1-5-6-14-11(19)8-17(3)7-10-9(2)16-18(4)12(10)15-13/h15H,5-8,13H2,1-4H3,(H,14,19)
InChIKeyBDAXHMBMTPCSTH-UHFFFAOYSA-N
XLogP-0.03
TPSA88.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-1-amine
CID 62245540
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62246707
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 22196628
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 60796591
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
CID 62245689
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87015037
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
CID 103060576
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
CID 80734175
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 62027451

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide (CID 55050607) is 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1c(C)nn(C)c1NN.
What is the InChIKey of 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is BDAXHMBMTPCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-6-14-11(19)8-17(3)7-10-9(2)16-18(4)12(10)15-13/h15H,5-8,13H2,1-4H3,(H,14,19).
What are the key properties of 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 268.36 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 55050607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).