1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

C21H24N4O — CID 2988733

IUPAC1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-18(10-8-16)25-21(22)20(17-5-3-2-4-6-17)19(23-25)15-24-11-13-26-14-12-24/h2-10H,11-15,22H2,1H3
InChIKeyXYSUEEIDBFZHBR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2988733) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2988733
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-18(10-8-16)25-21(22)20(17-5-3-2-4-6-17)19(23-25)15-24-11-13-26-14-12-24/h2-10H,11-15,22H2,1H3
InChIKeyXYSUEEIDBFZHBR-UHFFFAOYSA-N
XLogP3.26
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2988733) is 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is Cc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is XYSUEEIDBFZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-7-9-18(10-8-16)25-21(22)20(17-5-3-2-4-6-17)19(23-25)15-24-11-13-26-14-12-24/h2-10H,11-15,22H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 348.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).