N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine

C13H25N3O2 — CID 114277804

IUPACN-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccnn1CCOC)C(C)(C)OC
InChIInChI=1S/C13H25N3O2/c1-6-14-12(13(2,3)18-5)11-7-8-15-16(11)9-10-17-4/h7-8,12,14H,6,9-10H2,1-5H3
InChIKeyHHFSOAHSZDBIPP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.61
Rot. Bonds8

About N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine

N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine (PubChem CID 114277804) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
PubChem CID114277804
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccnn1CCOC)C(C)(C)OC
InChIInChI=1S/C13H25N3O2/c1-6-14-12(13(2,3)18-5)11-7-8-15-16(11)9-10-17-4/h7-8,12,14H,6,9-10H2,1-5H3
InChIKeyHHFSOAHSZDBIPP-UHFFFAOYSA-N
XLogP1.61
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
CID 114277902
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
CID 79061756
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
CID 114277839
5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
CID 118157112
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
[2-ethyl-2-methoxy-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 105275317
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine (CID 114277804) is N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine is CCNC(c1ccnn1CCOC)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is HHFSOAHSZDBIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-14-12(13(2,3)18-5)11-7-8-15-16(11)9-10-17-4/h7-8,12,14H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114277804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).