5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C14H19N3O — CID 62830117

IUPAC5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOCCc1[nH]nc(N)c1-c1cccc(C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-8-7-12-13(14(15)17-16-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyWXUFNAMTNHOCSK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.55
Rot. Bonds5

About 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62830117) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62830117
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOCCc1[nH]nc(N)c1-c1cccc(C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-8-7-12-13(14(15)17-16-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,15,16,17)
InChIKeyWXUFNAMTNHOCSK-UHFFFAOYSA-N
XLogP2.55
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752922
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
CID 63078890
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153436
5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 65238708
5-[(3-ethoxycyclobutyl)methyl]-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 103164027
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 62830117) is 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is CCOCCc1[nH]nc(N)c1-c1cccc(C)c1.
What is the InChIKey of 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is WXUFNAMTNHOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-8-7-12-13(14(15)17-16-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,15,16,17).
What are the key properties of 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62830117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).