(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine

C18H21N5O — CID 124944669

IUPAC(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESCc1cn[nH]c1[C@H]1COCCN1Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H21N5O/c1-13-9-19-21-17(13)16-12-24-8-7-23(16)11-15-10-20-22-18(15)14-5-3-2-4-6-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyBLKBLDKJBFTXCO-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds4

About (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine

(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine (PubChem CID 124944669) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
PubChem CID124944669
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
SMILESCc1cn[nH]c1[C@H]1COCCN1Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H21N5O/c1-13-9-19-21-17(13)16-12-24-8-7-23(16)11-15-10-20-22-18(15)14-5-3-2-4-6-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyBLKBLDKJBFTXCO-MRXNPFEDSA-N
XLogP2.68
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The IUPAC name of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine (CID 124944669) is (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine is Cc1cn[nH]c1[C@H]1COCCN1Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
The InChIKey is BLKBLDKJBFTXCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-9-19-21-17(13)16-12-24-8-7-23(16)11-15-10-20-22-18(15)14-5-3-2-4-6-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine?
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 124944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).