N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide

C15H16N4O2S — CID 166264666

IUPACN-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide
SMILESCn1nc(-c2ccccc2)cc1S(=O)(=O)N(CC#N)C1CC1
InChIInChI=1S/C15H16N4O2S/c1-18-15(11-14(17-18)12-5-3-2-4-6-12)22(20,21)19(10-9-16)13-7-8-13/h2-6,11,13H,7-8,10H2,1H3
InChIKeyHGWUECJUODZTBS-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.76
Rot. Bonds5

About N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide

N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide (PubChem CID 166264666) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide
PubChem CID166264666
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide
SMILESCn1nc(-c2ccccc2)cc1S(=O)(=O)N(CC#N)C1CC1
InChIInChI=1S/C15H16N4O2S/c1-18-15(11-14(17-18)12-5-3-2-4-6-12)22(20,21)19(10-9-16)13-7-8-13/h2-6,11,13H,7-8,10H2,1H3
InChIKeyHGWUECJUODZTBS-UHFFFAOYSA-N
XLogP1.76
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide (CID 166264666) is N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide is Cn1nc(-c2ccccc2)cc1S(=O)(=O)N(CC#N)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide?
The InChIKey is HGWUECJUODZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-18-15(11-14(17-18)12-5-3-2-4-6-12)22(20,21)19(10-9-16)13-7-8-13/h2-6,11,13H,7-8,10H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide?
N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-1-methyl-3-phenylpyrazole-5-sulfonamide is sourced from PubChem (CID 166264666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).