N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide

C9H13N5O2S — CID 104710176

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H13N5O2S/c1-14-9(3-4-12-14)17(15,16)13-5-2-8-6-10-7-11-8/h3-4,6-7,13H,2,5H2,1H3,(H,10,11)
InChIKeyMPMPQOANIMRTOR-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.34
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710176) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710176
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H13N5O2S/c1-14-9(3-4-12-14)17(15,16)13-5-2-8-6-10-7-11-8/h3-4,6-7,13H,2,5H2,1H3,(H,10,11)
InChIKeyMPMPQOANIMRTOR-UHFFFAOYSA-N
XLogP-0.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide (CID 104710176) is N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is MPMPQOANIMRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-14-9(3-4-12-14)17(15,16)13-5-2-8-6-10-7-11-8/h3-4,6-7,13H,2,5H2,1H3,(H,10,11).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).