4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide

C9H17N5O3S — CID 62082513

IUPAC4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCNS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N5O3S/c1-3-6-7(10)8(14-13-6)9(15)11-4-5-12-18(2,16)17/h12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAMADCEWBVFJMBU-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.17
Rot. Bonds6

About 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082513) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID62082513
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCNS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N5O3S/c1-3-6-7(10)8(14-13-6)9(15)11-4-5-12-18(2,16)17/h12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyAMADCEWBVFJMBU-UHFFFAOYSA-N
XLogP-1.17
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 106332637
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4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
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CID 55034048
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
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CID 62080974
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 102694323
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
4-amino-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 80680651

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide (CID 62082513) is 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCNS(C)(=O)=O)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AMADCEWBVFJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-3-6-7(10)8(14-13-6)9(15)11-4-5-12-18(2,16)17/h12H,3-5,10H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).