3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide

C10H16N6O2S — CID 105358992

IUPAC3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ncc[nH]2)c(N)nn1C
InChIInChI=1S/C10H16N6O2S/c1-7-9(10(11)14-16(7)3)19(17,18)15(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyWHVHRNNGJKXMQR-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.15
Rot. Bonds4

About 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide

3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide (PubChem CID 105358992) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
PubChem CID105358992
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ncc[nH]2)c(N)nn1C
InChIInChI=1S/C10H16N6O2S/c1-7-9(10(11)14-16(7)3)19(17,18)15(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyWHVHRNNGJKXMQR-UHFFFAOYSA-N
XLogP-0.15
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide (CID 105358992) is 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2ncc[nH]2)c(N)nn1C.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WHVHRNNGJKXMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-7-9(10(11)14-16(7)3)19(17,18)15(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).