4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C9H14N6O2S — CID 114141590

IUPAC4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCc2cnc[nH]2)c1CN
InChIInChI=1S/C9H14N6O2S/c1-6-8(2-10)9(15-14-6)18(16,17)13-4-7-3-11-5-12-7/h3,5,13H,2,4,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyUCGYPPOSYHTJQL-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.62
Rot. Bonds5

About 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 114141590) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID114141590
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCc2cnc[nH]2)c1CN
InChIInChI=1S/C9H14N6O2S/c1-6-8(2-10)9(15-14-6)18(16,17)13-4-7-3-11-5-12-7/h3,5,13H,2,4,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyUCGYPPOSYHTJQL-UHFFFAOYSA-N
XLogP-0.62
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
4-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106065157
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055543
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 114141590) is 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NCc2cnc[nH]2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is UCGYPPOSYHTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-6-8(2-10)9(15-14-6)18(16,17)13-4-7-3-11-5-12-7/h3,5,13H,2,4,10H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 114141590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).