(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone

C11H18N4OS — CID 65359256

IUPAC(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCSCC1C
InChIInChI=1S/C11H18N4OS/c1-3-15-10(9(12)6-13-15)11(16)14-4-5-17-7-8(14)2/h6,8H,3-5,7,12H2,1-2H3
InChIKeyKTYGARLXTBCVPY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.06
Rot. Bonds2

About (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone

(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 65359256) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone
PubChem CID65359256
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCSCC1C
InChIInChI=1S/C11H18N4OS/c1-3-15-10(9(12)6-13-15)11(16)14-4-5-17-7-8(14)2/h6,8H,3-5,7,12H2,1-2H3
InChIKeyKTYGARLXTBCVPY-UHFFFAOYSA-N
XLogP1.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone (CID 65359256) is (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone is CCn1ncc(N)c1C(=O)N1CCSCC1C.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is KTYGARLXTBCVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-15-10(9(12)6-13-15)11(16)14-4-5-17-7-8(14)2/h6,8H,3-5,7,12H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone?
(4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 65359256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).