2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide

C10H18N4O3S — CID 54896909

IUPAC2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide
SMILESCc1[nH]ncc1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-18(2,16)17/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFTTZYYCWFBBSOT-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.90
Rot. Bonds6

About 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide

2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide (PubChem CID 54896909) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide
PubChem CID54896909
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide
SMILESCc1[nH]ncc1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-18(2,16)17/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFTTZYYCWFBBSOT-UHFFFAOYSA-N
XLogP-0.90
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide (CID 54896909) is 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide is Cc1[nH]ncc1CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is FTTZYYCWFBBSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-18(2,16)17/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 274.35 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 54896909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).