4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine

C15H30N4O — CID 63058730

IUPAC4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
SMILESCCCN(CCC)c1c(CNCCOC)c(C)nn1C
InChIInChI=1S/C15H30N4O/c1-6-9-19(10-7-2)15-14(12-16-8-11-20-5)13(3)17-18(15)4/h16H,6-12H2,1-5H3
InChIKeyMKHBKXJNSJDOQK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds10

About 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine

4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine (PubChem CID 63058730) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
PubChem CID63058730
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
SMILESCCCN(CCC)c1c(CNCCOC)c(C)nn1C
InChIInChI=1S/C15H30N4O/c1-6-9-19(10-7-2)15-14(12-16-8-11-20-5)13(3)17-18(15)4/h16H,6-12H2,1-5H3
InChIKeyMKHBKXJNSJDOQK-UHFFFAOYSA-N
XLogP2.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
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

N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
CID 113467892
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
CID 122165875
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(oxolan-3-yl)pyrazol-5-amine
CID 82742332
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446
N-(2-methoxyethyl)-N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63060790
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine (CID 63058730) is 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine is CCCN(CCC)c1c(CNCCOC)c(C)nn1C.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine?
The InChIKey is MKHBKXJNSJDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-6-9-19(10-7-2)15-14(12-16-8-11-20-5)13(3)17-18(15)4/h16H,6-12H2,1-5H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine?
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine has a molecular weight of 282.43 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine is sourced from PubChem (CID 63058730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).