5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine

C10H20N4O — CID 62985720

IUPAC5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOCCCN(C)c1c(N)c(C)nn1C
InChIInChI=1S/C10H20N4O/c1-8-9(11)10(14(3)12-8)13(2)6-5-7-15-4/h5-7,11H2,1-4H3
InChIKeyAWMRLVBWDLMSDB-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.78
Rot. Bonds5

About 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine

5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine (PubChem CID 62985720) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
PubChem CID62985720
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOCCCN(C)c1c(N)c(C)nn1C
InChIInChI=1S/C10H20N4O/c1-8-9(11)10(14(3)12-8)13(2)6-5-7-15-4/h5-7,11H2,1-4H3
InChIKeyAWMRLVBWDLMSDB-UHFFFAOYSA-N
XLogP0.78
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.78
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

2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229
5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine
CID 82948167
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazol-4-amine
CID 61102493
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
CID 43553970
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
5-N-butyl-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66016939
5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
N-(2-methoxyethyl)-N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63060790
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 66027958

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine (CID 62985720) is 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine is COCCCN(C)c1c(N)c(C)nn1C.
What is the InChIKey of 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The InChIKey is AWMRLVBWDLMSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8-9(11)10(14(3)12-8)13(2)6-5-7-15-4/h5-7,11H2,1-4H3.
What are the key properties of 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxypropyl)-5-N,1,3-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 62985720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).