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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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride
CID 104709821

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).