4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide

C9H17N5O3S — CID 66120267

IUPAC4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N5O3S/c1-6-7(10)8(14(2)13-6)9(15)11-4-5-12-18(3,16)17/h12H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyDSUDXHKUJLKVIL-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.41
Rot. Bonds5

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

4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66120267) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66120267
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1N
InChIInChI=1S/C9H17N5O3S/c1-6-7(10)8(14(2)13-6)9(15)11-4-5-12-18(3,16)17/h12H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyDSUDXHKUJLKVIL-UHFFFAOYSA-N
XLogP-1.41
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 39890794
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377439
1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377440
(10S)-4,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5-dien-2-one
CID 10376175
4-Chloro-N-[2-(dimethylsulfamoyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 121494583
3-[[2-[5-[(cyclohexylsulfonylamino)carbamoyl]-4-fluoro-3-methylpyrazol-1-yl]acetyl]amino]-N-methylpropanamide
CID 134581095
4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
CID 163932043
4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116762
4-amino-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66121639
4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66122907

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66120267) is 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1N.
What is the InChIKey of 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is DSUDXHKUJLKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-6-7(10)8(14(2)13-6)9(15)11-4-5-12-18(3,16)17/h12H,4-5,10H2,1-3H3,(H,11,15).
What are the key properties of 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).