(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine

C19H28N4O — CID 95287846

IUPAC(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H28N4O/c1-15-12-21-23(14-15)17(3)16(2)20-13-18-6-4-5-7-19(18)22-8-10-24-11-9-22/h4-7,12,14,16-17,20H,8-11,13H2,1-3H3/t16-,17+/m1/s1
InChIKeyBRQKJIOSEYTADI-SJORKVTESA-N
MW328.46 g/mol
LogP2.77
Rot. Bonds6

About (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine

(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine (PubChem CID 95287846) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine
PubChem CID95287846
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H28N4O/c1-15-12-21-23(14-15)17(3)16(2)20-13-18-6-4-5-7-19(18)22-8-10-24-11-9-22/h4-7,12,14,16-17,20H,8-11,13H2,1-3H3/t16-,17+/m1/s1
InChIKeyBRQKJIOSEYTADI-SJORKVTESA-N
XLogP2.77
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine?
The IUPAC name of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine (CID 95287846) is (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine is Cc1cnn([C@@H](C)[C@@H](C)NCc2ccccc2N2CCOCC2)c1.
What is the InChIKey of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine?
The InChIKey is BRQKJIOSEYTADI-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-12-21-23(14-15)17(3)16(2)20-13-18-6-4-5-7-19(18)22-8-10-24-11-9-22/h4-7,12,14,16-17,20H,8-11,13H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine?
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine has a molecular weight of 328.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 95287846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).