1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine

C24H28N4O — CID 119124621

IUPAC1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CNCC2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C24H28N4O/c1-3-7-19(8-4-1)24-20(17-28(26-24)22-9-5-2-6-10-22)15-25-16-23-18-27(13-14-29-23)21-11-12-21/h1-10,17,21,23,25H,11-16,18H2
InChIKeyQEANZUQOFIBZRI-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.49
Rot. Bonds7

About 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine

1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine (PubChem CID 119124621) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine
PubChem CID119124621
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CNCC2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C24H28N4O/c1-3-7-19(8-4-1)24-20(17-28(26-24)22-9-5-2-6-10-22)15-25-16-23-18-27(13-14-29-23)21-11-12-21/h1-10,17,21,23,25H,11-16,18H2
InChIKeyQEANZUQOFIBZRI-UHFFFAOYSA-N
XLogP3.49
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine (CID 119124621) is 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine is c1ccc(-c2nn(-c3ccccc3)cc2CNCC2CN(C3CC3)CCO2)cc1.
What is the InChIKey of 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is QEANZUQOFIBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-7-19(8-4-1)24-20(17-28(26-24)22-9-5-2-6-10-22)15-25-16-23-18-27(13-14-29-23)21-11-12-21/h1-10,17,21,23,25H,11-16,18H2.
What are the key properties of 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine?
1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 388.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119124621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).