5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine

C13H17N3O2 — CID 90156722

IUPAC5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
SMILESCOCCOc1ccc(Cc2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-6-7-18-12-4-2-10(3-5-12)8-11-9-13(14)16-15-11/h2-5,9H,6-8H2,1H3,(H3,14,15,16)
InChIKeyLWNUMCPBAUCXNX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds6

About 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine

5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine (PubChem CID 90156722) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
PubChem CID90156722
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
SMILESCOCCOc1ccc(Cc2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-6-7-18-12-4-2-10(3-5-12)8-11-9-13(14)16-15-11/h2-5,9H,6-8H2,1H3,(H3,14,15,16)
InChIKeyLWNUMCPBAUCXNX-UHFFFAOYSA-N
XLogP1.61
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
5-(3-methoxypropyl)-1H-pyrazol-3-amine
CID 45121235
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
CID 151551370
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
CID 82084834
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
2-[[4-(2-methoxyethoxy)phenyl]methyl]triazol-4-amine
CID 135260000
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
CID 82082137
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine (CID 90156722) is 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine is COCCOc1ccc(Cc2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The InChIKey is LWNUMCPBAUCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-6-7-18-12-4-2-10(3-5-12)8-11-9-13(14)16-15-11/h2-5,9H,6-8H2,1H3,(H3,14,15,16).
What are the key properties of 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine?
5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 90156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).