N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide

C10H18N4O3S — CID 51087164

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H18N4O3S/c1-3-18(16,17)14(2)8-4-6-11-10(15)9-5-7-12-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyUXNDOEWNEJUXRN-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.19
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide (PubChem CID 51087164) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
PubChem CID51087164
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H18N4O3S/c1-3-18(16,17)14(2)8-4-6-11-10(15)9-5-7-12-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyUXNDOEWNEJUXRN-UHFFFAOYSA-N
XLogP-0.19
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide (CID 51087164) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide is CCS(=O)(=O)N(C)CCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UXNDOEWNEJUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-18(16,17)14(2)8-4-6-11-10(15)9-5-7-12-13-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).