N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine

C11H21N3O — CID 79579267

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-9(5-6-15-4)12-7-11-8-13-14(3)10(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyQBXFEPLXEUCPCZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.24
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine (PubChem CID 79579267) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
PubChem CID79579267
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-9(5-6-15-4)12-7-11-8-13-14(3)10(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyQBXFEPLXEUCPCZ-UHFFFAOYSA-N
XLogP1.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 79578579
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine (CID 79579267) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine?
The InChIKey is QBXFEPLXEUCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(5-6-15-4)12-7-11-8-13-14(3)10(11)2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 79579267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).