(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone

C13H15N3O2S — CID 71918016

IUPAC(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C13H15N3O2S/c1-9-10(7-14-15-9)13(17)16-4-5-18-11(8-16)12-3-2-6-19-12/h2-3,6-7,11H,4-5,8H2,1H3,(H,14,15)
InChIKeyUDCFWVRAVJLDQK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.99
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone

(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone (PubChem CID 71918016) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone
PubChem CID71918016
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C13H15N3O2S/c1-9-10(7-14-15-9)13(17)16-4-5-18-11(8-16)12-3-2-6-19-12/h2-3,6-7,11H,4-5,8H2,1H3,(H,14,15)
InChIKeyUDCFWVRAVJLDQK-UHFFFAOYSA-N
XLogP1.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone (CID 71918016) is (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCOC(c2cccs2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone?
The InChIKey is UDCFWVRAVJLDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-10(7-14-15-9)13(17)16-4-5-18-11(8-16)12-3-2-6-19-12/h2-3,6-7,11H,4-5,8H2,1H3,(H,14,15).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone?
(5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-(2-thiophen-2-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 71918016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).