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

C10H19N3O — CID 102696485

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1cnn(C)c1C
InChIInChI=1S/C10H19N3O/c1-8(14-4)5-11-6-10-7-12-13(3)9(10)2/h7-8,11H,5-6H2,1-4H3
InChIKeyLSDWWJWDYNHFML-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.85
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine (PubChem CID 102696485) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
PubChem CID102696485
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1cnn(C)c1C
InChIInChI=1S/C10H19N3O/c1-8(14-4)5-11-6-10-7-12-13(3)9(10)2/h7-8,11H,5-6H2,1-4H3
InChIKeyLSDWWJWDYNHFML-UHFFFAOYSA-N
XLogP0.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine (CID 102696485) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine is COC(C)CNCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine?
The InChIKey is LSDWWJWDYNHFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(14-4)5-11-6-10-7-12-13(3)9(10)2/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 0.85, 5 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]-2-methoxypropan-1-amine is sourced from PubChem (CID 102696485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).