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

C9H16N4O3S — CID 43582919

IUPACN-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-6-8(7(2)13-12-6)9(14)10-4-5-11-17(3,15)16/h11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyUUKABIJJVMEASP-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.69
Rot. Bonds5

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

N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582919) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582919
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-6-8(7(2)13-12-6)9(14)10-4-5-11-17(3,15)16/h11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyUUKABIJJVMEASP-UHFFFAOYSA-N
XLogP-0.69
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.69
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582919) is N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is UUKABIJJVMEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-6-8(7(2)13-12-6)9(14)10-4-5-11-17(3,15)16/h11H,4-5H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.69, 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]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).