(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine

C16H22N4O — CID 124941629

IUPAC(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
SMILESCCCn1cc(CN2CCO[C@H](c3ccccn3)C2)cn1
InChIInChI=1S/C16H22N4O/c1-2-7-20-12-14(10-18-20)11-19-8-9-21-16(13-19)15-5-3-4-6-17-15/h3-6,10,12,16H,2,7-9,11,13H2,1H3/t16-/m0/s1
InChIKeyAOTADLMUSHFNHJ-INIZCTEOSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds5

About (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine

(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine (PubChem CID 124941629) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
PubChem CID124941629
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
SMILESCCCn1cc(CN2CCO[C@H](c3ccccn3)C2)cn1
InChIInChI=1S/C16H22N4O/c1-2-7-20-12-14(10-18-20)11-19-8-9-21-16(13-19)15-5-3-4-6-17-15/h3-6,10,12,16H,2,7-9,11,13H2,1H3/t16-/m0/s1
InChIKeyAOTADLMUSHFNHJ-INIZCTEOSA-N
XLogP2.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113016
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
(2R)-4-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-ylmorpholine
CID 125003279
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
CID 110271963
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine?
The IUPAC name of (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine (CID 124941629) is (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine is CCCn1cc(CN2CCO[C@H](c3ccccn3)C2)cn1.
What is the InChIKey of (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine?
The InChIKey is AOTADLMUSHFNHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-7-20-12-14(10-18-20)11-19-8-9-21-16(13-19)15-5-3-4-6-17-15/h3-6,10,12,16H,2,7-9,11,13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine?
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine has a molecular weight of 286.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 124941629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).