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

C7H13N5O3S — CID 63101763

IUPAC4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)11-3-2-9-7(13)6-5(8)4-10-12-6/h4,11H,2-3,8H2,1H3,(H,9,13)(H,10,12)
InChIKeyIRYFEGFAMDRNBI-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.73
Rot. Bonds5

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

4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 63101763) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID63101763
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC Name4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)11-3-2-9-7(13)6-5(8)4-10-12-6/h4,11H,2-3,8H2,1H3,(H,9,13)(H,10,12)
InChIKeyIRYFEGFAMDRNBI-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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Related Compounds

4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 63863361
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
(4-amino-1H-pyrazol-5-yl)-methylsulfonylmethanone
CID 117218916
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
CID 62082513
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide (CID 63101763) is 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)NCCNC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IRYFEGFAMDRNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-16(14,15)11-3-2-9-7(13)6-5(8)4-10-12-6/h4,11H,2-3,8H2,1H3,(H,9,13)(H,10,12).
What are the key properties of 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide?
4-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 4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).