5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile

C10H16N4O — CID 63757669

IUPAC5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOCCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C10H16N4O/c1-8-9(7-11)10(14(2)13-8)12-5-4-6-15-3/h12H,4-6H2,1-3H3
InChIKeyRRCFNOBZUOZSGM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.05
Rot. Bonds5

About 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile

5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63757669) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63757669
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOCCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C10H16N4O/c1-8-9(7-11)10(14(2)13-8)12-5-4-6-15-3/h12H,4-6H2,1-3H3
InChIKeyRRCFNOBZUOZSGM-UHFFFAOYSA-N
XLogP1.05
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
5-[(3-hydroxy-4-methoxybutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106245870
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-[4-(dimethylamino)butylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758377
1,3-dimethyl-5-(3-piperidin-4-yloxypropylamino)pyrazole-4-carbonitrile
CID 63870517
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
5-[2-(4-aminophenoxy)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757521
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile (CID 63757669) is 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile is COCCCNc1c(C#N)c(C)nn1C.
What is the InChIKey of 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is RRCFNOBZUOZSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-9(7-11)10(14(2)13-8)12-5-4-6-15-3/h12H,4-6H2,1-3H3.
What are the key properties of 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile?
5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63757669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).