N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine

C14H27N3O3 — CID 104567613

IUPACN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCOCCOCCOCCn1nccc1CNC(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2)15-12-14-4-5-16-17(14)6-7-19-10-11-20-9-8-18-3/h4-5,13,15H,6-12H2,1-3H3
InChIKeyBMMZAKUKLYWAPW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.06
Rot. Bonds12

About N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine

N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 104567613) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
PubChem CID104567613
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCOCCOCCOCCn1nccc1CNC(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2)15-12-14-4-5-16-17(14)6-7-19-10-11-20-9-8-18-3/h4-5,13,15H,6-12H2,1-3H3
InChIKeyBMMZAKUKLYWAPW-UHFFFAOYSA-N
XLogP1.06
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104567615
[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol
CID 118157025
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine (CID 104567613) is N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine is COCCOCCOCCn1nccc1CNC(C)C.
What is the InChIKey of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is BMMZAKUKLYWAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-13(2)15-12-14-4-5-16-17(14)6-7-19-10-11-20-9-8-18-3/h4-5,13,15H,6-12H2,1-3H3.
What are the key properties of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine?
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 1.06, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104567613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).