(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H20N4OS — CID 66124659

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C15H20N4OS/c1-3-19-14(13(16)10(2)17-19)15(20)18-8-4-6-11(18)12-7-5-9-21-12/h5,7,9,11H,3-4,6,8,16H2,1-2H3
InChIKeyVCSHBZZIZWXXSL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.83
Rot. Bonds3

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 66124659) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID66124659
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C15H20N4OS/c1-3-19-14(13(16)10(2)17-19)15(20)18-8-4-6-11(18)12-7-5-9-21-12/h5,7,9,11H,3-4,6,8,16H2,1-2H3
InChIKeyVCSHBZZIZWXXSL-UHFFFAOYSA-N
XLogP2.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 66124659) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CCn1nc(C)c(N)c1C(=O)N1CCCC1c1cccs1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is VCSHBZZIZWXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-19-14(13(16)10(2)17-19)15(20)18-8-4-6-11(18)12-7-5-9-21-12/h5,7,9,11H,3-4,6,8,16H2,1-2H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66124659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).