N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide

C10H15N5O — CID 112669044

IUPACN-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1nn(C)cc1CNCC(=O)NCC#N
InChIInChI=1S/C10H15N5O/c1-8-9(7-15(2)14-8)5-12-6-10(16)13-4-3-11/h7,12H,4-6H2,1-2H3,(H,13,16)
InChIKeyDIUZOXBQMRQIAC-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.54
Rot. Bonds5

About N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide

N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 112669044) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID112669044
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1nn(C)cc1CNCC(=O)NCC#N
InChIInChI=1S/C10H15N5O/c1-8-9(7-15(2)14-8)5-12-6-10(16)13-4-3-11/h7,12H,4-6H2,1-2H3,(H,13,16)
InChIKeyDIUZOXBQMRQIAC-UHFFFAOYSA-N
XLogP-0.54
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
N-(2-cyanoethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 112668879
(1,3-dimethylpyrazol-4-yl)methylcyanamide
CID 112669054
N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 102805642
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide (CID 112669044) is N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide is Cc1nn(C)cc1CNCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is DIUZOXBQMRQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8-9(7-15(2)14-8)5-12-6-10(16)13-4-3-11/h7,12H,4-6H2,1-2H3,(H,13,16).
What are the key properties of N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 221.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 112669044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).