N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide

C13H19N5O2S — CID 75369302

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccnn2C2CCCCC2)[nH]1
InChIInChI=1S/C13H19N5O2S/c1-10-14-9-13(16-10)21(19,20)17-12-7-8-15-18(12)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,14,16)
InChIKeyHCUNVSNXIKLFHA-UHFFFAOYSA-N
MW309.40 g/mol
LogP2.22
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide

N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 75369302) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID75369302
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccnn2C2CCCCC2)[nH]1
InChIInChI=1S/C13H19N5O2S/c1-10-14-9-13(16-10)21(19,20)17-12-7-8-15-18(12)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,14,16)
InChIKeyHCUNVSNXIKLFHA-UHFFFAOYSA-N
XLogP2.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 75369302) is N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccnn2C2CCCCC2)[nH]1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is HCUNVSNXIKLFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-14-9-13(16-10)21(19,20)17-12-7-8-15-18(12)11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 75369302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).