[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C9H13N3O3 — CID 81208376

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCOC(CO)C1
InChIInChI=1S/C9H13N3O3/c13-6-7-5-12(3-4-15-7)9(14)8-1-2-10-11-8/h1-2,7,13H,3-6H2,(H,10,11)
InChIKeyYMVMDQLTRDNCRV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.76
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 81208376) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID81208376
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCOC(CO)C1
InChIInChI=1S/C9H13N3O3/c13-6-7-5-12(3-4-15-7)9(14)8-1-2-10-11-8/h1-2,7,13H,3-6H2,(H,10,11)
InChIKeyYMVMDQLTRDNCRV-UHFFFAOYSA-N
XLogP-0.76
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81209890
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
(6-bromo-1,4-oxazepan-4-yl)-(1H-pyrazol-5-yl)methanone
CID 130940185
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
1H-pyrazol-5-yl-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 155983957
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 81208376) is [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is YMVMDQLTRDNCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-7-5-12(3-4-15-7)9(14)8-1-2-10-11-8/h1-2,7,13H,3-6H2,(H,10,11).
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 81208376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).