N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine

C12H23N3O2 — CID 103229075

IUPACN-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OC(CNCC)COC)cn1
InChIInChI=1S/C12H23N3O2/c1-4-6-15-9-11(8-14-15)17-12(10-16-3)7-13-5-2/h8-9,12-13H,4-7,10H2,1-3H3
InChIKeyNHDYNMLRISZYJL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.30
Rot. Bonds9

About N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine

N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 103229075) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine
PubChem CID103229075
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OC(CNCC)COC)cn1
InChIInChI=1S/C12H23N3O2/c1-4-6-15-9-11(8-14-15)17-12(10-16-3)7-13-5-2/h8-9,12-13H,4-7,10H2,1-3H3
InChIKeyNHDYNMLRISZYJL-UHFFFAOYSA-N
XLogP1.30
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
2-(1-ethylpyrazol-4-yl)oxy-N-propylbutan-1-amine
CID 116803250
3-methyl-2-(1-propylpyrazol-4-yl)oxybutanoic acid
CID 116799986
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-butan-2-yl-2-(1-propylpyrazol-4-yl)oxypropanamide
CID 116804928
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
4-(1-propylpyrazol-4-yl)oxypentanehydrazide
CID 116804100
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine (CID 103229075) is N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine is CCCn1cc(OC(CNCC)COC)cn1.
What is the InChIKey of N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is NHDYNMLRISZYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-6-15-9-11(8-14-15)17-12(10-16-3)7-13-5-2/h8-9,12-13H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine?
N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(1-propylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 103229075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).