(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone

C9H13N3O2 — CID 42110979

IUPAC(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C9H13N3O2/c1-11-3-2-8(10-11)9(13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyXQZNOSGDKWEBPO-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.11
Rot. Bonds1

About (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone

(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 42110979) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID42110979
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C9H13N3O2/c1-11-3-2-8(10-11)9(13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyXQZNOSGDKWEBPO-UHFFFAOYSA-N
XLogP-0.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone (CID 42110979) is (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone is Cn1ccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XQZNOSGDKWEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-3-2-8(10-11)9(13)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
(1-methylpyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 195.22 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 42110979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).