1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine

C19H21N3O2 — CID 22282024

IUPAC1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine
SMILESCc1ccc(-c2c(OCCOc3ccccc3)nn(C)c2N)cc1
InChIInChI=1S/C19H21N3O2/c1-14-8-10-15(11-9-14)17-18(20)22(2)21-19(17)24-13-12-23-16-6-4-3-5-7-16/h3-11H,12-13,20H2,1-2H3
InChIKeyQSDGWSPTUIWADY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.44
Rot. Bonds6

About 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine

1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine (PubChem CID 22282024) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine
PubChem CID22282024
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine
SMILESCc1ccc(-c2c(OCCOc3ccccc3)nn(C)c2N)cc1
InChIInChI=1S/C19H21N3O2/c1-14-8-10-15(11-9-14)17-18(20)22(2)21-19(17)24-13-12-23-16-6-4-3-5-7-16/h3-11H,12-13,20H2,1-2H3
InChIKeyQSDGWSPTUIWADY-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine (CID 22282024) is 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine is Cc1ccc(-c2c(OCCOc3ccccc3)nn(C)c2N)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine?
The InChIKey is QSDGWSPTUIWADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-8-10-15(11-9-14)17-18(20)22(2)21-19(17)24-13-12-23-16-6-4-3-5-7-16/h3-11H,12-13,20H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine?
1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine has a molecular weight of 323.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine is sourced from PubChem (CID 22282024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).