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

C7H12N4O3S — CID 43582917

IUPACN-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)11-3-2-8-7(12)6-4-9-10-5-6/h4-5,11H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyOQNIUVYVMSQTEV-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.31
Rot. Bonds5

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

N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 43582917) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID43582917
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)11-3-2-8-7(12)6-4-9-10-5-6/h4-5,11H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyOQNIUVYVMSQTEV-UHFFFAOYSA-N
XLogP-1.31
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
1-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-1H-pyrazole-4-carboxamide
CID 70760368
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54876993
N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide
CID 130478238
N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 131089262
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-butyl-1H-pyrazole-4-carboxamide
CID 43532896
1-(1H-pyrazole-4-carbonyl)piperazine
CID 43565571
N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 43582248
N-propyl-1H-pyrazole-4-carboxamide
CID 43582291
(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582311
N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 43582322

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide (CID 43582917) is N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide is CS(=O)(=O)NCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OQNIUVYVMSQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-15(13,14)11-3-2-8-7(12)6-4-9-10-5-6/h4-5,11H,2-3H2,1H3,(H,8,12)(H,9,10).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide?
N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).