N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine

C11H21N3O2 — CID 103569367

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCCn1cc(CNC(C)C(OC)OC)cn1
InChIInChI=1S/C11H21N3O2/c1-5-14-8-10(7-13-14)6-12-9(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyNMFMJMWXHWCJTE-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.00
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine (PubChem CID 103569367) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
PubChem CID103569367
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCCn1cc(CNC(C)C(OC)OC)cn1
InChIInChI=1S/C11H21N3O2/c1-5-14-8-10(7-13-14)6-12-9(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyNMFMJMWXHWCJTE-UHFFFAOYSA-N
XLogP1.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 62125652
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine (CID 103569367) is N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine is CCn1cc(CNC(C)C(OC)OC)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine?
The InChIKey is NMFMJMWXHWCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-14-8-10(7-13-14)6-12-9(2)11(15-3)16-4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 103569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).