N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine

C13H25N3O — CID 112669037

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O/c1-5-7-12(10-17-4)14-8-11-9-16(3)15-13(11)6-2/h9,12,14H,5-8,10H2,1-4H3
InChIKeyUTSKZFMAOZIHHA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds8

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine (PubChem CID 112669037) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
PubChem CID112669037
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O/c1-5-7-12(10-17-4)14-8-11-9-16(3)15-13(11)6-2/h9,12,14H,5-8,10H2,1-4H3
InChIKeyUTSKZFMAOZIHHA-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 79578579
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
3-methoxy-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 106187305
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 103893940
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
CID 103781055
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine (CID 112669037) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine is CCCC(COC)NCc1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The InChIKey is UTSKZFMAOZIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-12(10-17-4)14-8-11-9-16(3)15-13(11)6-2/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine is sourced from PubChem (CID 112669037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).