[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C13H16N4O2 — CID 86794071

IUPAC[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c1-16-6-2-3-11(16)12-9-19-8-7-17(12)13(18)10-4-5-14-15-10/h2-6,12H,7-9H2,1H3,(H,14,15)
InChIKeyRSWRIRQEGCNVMP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.96
Rot. Bonds2

About [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 86794071) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID86794071
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C13H16N4O2/c1-16-6-2-3-11(16)12-9-19-8-7-17(12)13(18)10-4-5-14-15-10/h2-6,12H,7-9H2,1H3,(H,14,15)
InChIKeyRSWRIRQEGCNVMP-UHFFFAOYSA-N
XLogP0.96
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 86794071) is [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is Cn1cccc1C1COCCN1C(=O)c1ccn[nH]1.
What is the InChIKey of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is RSWRIRQEGCNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-6-2-3-11(16)12-9-19-8-7-17(12)13(18)10-4-5-14-15-10/h2-6,12H,7-9H2,1H3,(H,14,15).
What are the key properties of [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 260.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 86794071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).