N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine

C15H21N3O2 — CID 63050056

IUPACN-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
SMILESCCCOc1ccc(-c2cc(NCCOC)n[nH]2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-9-20-13-6-4-12(5-7-13)14-11-15(18-17-14)16-8-10-19-2/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyAMEJRDSTTSNVTO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.92
Rot. Bonds8

About N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine

N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 63050056) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
PubChem CID63050056
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
SMILESCCCOc1ccc(-c2cc(NCCOC)n[nH]2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-9-20-13-6-4-12(5-7-13)14-11-15(18-17-14)16-8-10-19-2/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyAMEJRDSTTSNVTO-UHFFFAOYSA-N
XLogP2.92
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.92
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

N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
N-(2-methoxyethyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 63049884
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63049730
5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 63047643
5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 55146147
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529574
5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 82781603
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine (CID 63050056) is N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine is CCCOc1ccc(-c2cc(NCCOC)n[nH]2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is AMEJRDSTTSNVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-9-20-13-6-4-12(5-7-13)14-11-15(18-17-14)16-8-10-19-2/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,18).
What are the key properties of N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine?
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 275.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63050056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).