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

C7H13N5O3S — CID 64523638

IUPAC3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)10-3-2-9-7(13)5-4-6(8)12-11-5/h4,10H,2-3H2,1H3,(H,9,13)(H3,8,11,12)
InChIKeyWZRDYDMSDUHCOY-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.73
Rot. Bonds5

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

3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64523638) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64523638
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC Name3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)10-3-2-9-7(13)5-4-6(8)12-11-5/h4,10H,2-3H2,1H3,(H,9,13)(H3,8,11,12)
InChIKeyWZRDYDMSDUHCOY-UHFFFAOYSA-N
XLogP-1.73
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.73
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide (CID 64523638) is 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)NCCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WZRDYDMSDUHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-16(14,15)10-3-2-9-7(13)5-4-6(8)12-11-5/h4,10H,2-3H2,1H3,(H,9,13)(H3,8,11,12).
What are the key properties of 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of -1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).