(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone

C13H21N3O2 — CID 79669008

IUPAC(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-15-6-7-18-12(10-15)13(17)11-8-14-16(4-2)9-11/h8-9,12H,3-7,10H2,1-2H3
InChIKeyPDFMUUBYHGRHEI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone

(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 79669008) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
PubChem CID79669008
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-15-6-7-18-12(10-15)13(17)11-8-14-16(4-2)9-11/h8-9,12H,3-7,10H2,1-2H3
InChIKeyPDFMUUBYHGRHEI-UHFFFAOYSA-N
XLogP1.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone (CID 79669008) is (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cnn(CC)c2)C1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is PDFMUUBYHGRHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-15-6-7-18-12(10-15)13(17)11-8-14-16(4-2)9-11/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone?
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 79669008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).