1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

C22H26N4O — CID 2391334

IUPAC1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)c(C)c1
InChIInChI=1S/C22H26N4O/c1-16-8-9-20(17(2)14-16)26-22(23)21(18-6-4-3-5-7-18)19(24-26)15-25-10-12-27-13-11-25/h3-9,14H,10-13,15,23H2,1-2H3
InChIKeyLMFLQDDNTWZWPZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2391334) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2391334
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)c(C)c1
InChIInChI=1S/C22H26N4O/c1-16-8-9-20(17(2)14-16)26-22(23)21(18-6-4-3-5-7-18)19(24-26)15-25-10-12-27-13-11-25/h3-9,14H,10-13,15,23H2,1-2H3
InChIKeyLMFLQDDNTWZWPZ-UHFFFAOYSA-N
XLogP3.57
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2391334) is 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is Cc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is LMFLQDDNTWZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-8-9-20(17(2)14-16)26-22(23)21(18-6-4-3-5-7-18)19(24-26)15-25-10-12-27-13-11-25/h3-9,14H,10-13,15,23H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 362.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2391334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).