2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide

C10H17N5O4S — CID 43705849

IUPAC2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)3-2-8(11)10(17)14-7-4-13-15(5-7)6-9(12)16/h4-5,8H,2-3,6,11H2,1H3,(H2,12,16)(H,14,17)
InChIKeyRKEOMMQDGBIKLP-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.93
Rot. Bonds7

About 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide

2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide (PubChem CID 43705849) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
PubChem CID43705849
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H17N5O4S/c1-20(18,19)3-2-8(11)10(17)14-7-4-13-15(5-7)6-9(12)16/h4-5,8H,2-3,6,11H2,1H3,(H2,12,16)(H,14,17)
InChIKeyRKEOMMQDGBIKLP-UHFFFAOYSA-N
XLogP-1.93
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide (CID 43705849) is 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide?
The InChIKey is RKEOMMQDGBIKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-20(18,19)3-2-8(11)10(17)14-7-4-13-15(5-7)6-9(12)16/h4-5,8H,2-3,6,11H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide?
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide has a molecular weight of 303.34 g/mol, XLogP of -1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 43705849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).