2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine

C12H23N3O — CID 115656313

IUPAC2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cc(CNCC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-9-11(8-14-15)7-13-10-12(2,3)16-4/h8-9,13H,5-7,10H2,1-4H3
InChIKeyVHAPWEZAUUANPQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds7

About 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine

2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115656313) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115656313
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cc(CNCC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-9-11(8-14-15)7-13-10-12(2,3)16-4/h8-9,13H,5-7,10H2,1-4H3
InChIKeyVHAPWEZAUUANPQ-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine (CID 115656313) is 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine is CCCn1cc(CNCC(C)(C)OC)cn1.
What is the InChIKey of 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is VHAPWEZAUUANPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-15-9-11(8-14-15)7-13-10-12(2,3)16-4/h8-9,13H,5-7,10H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine?
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115656313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).