1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide

C14H14N4O2S — CID 71909646

IUPAC1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C14H14N4O2S/c15-11-14(6-7-14)17-21(19,20)13-8-16-18(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,9H2
InChIKeyANHRRFWQGSBJCL-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.27
Rot. Bonds5

About 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide

1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide (PubChem CID 71909646) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide
PubChem CID71909646
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C14H14N4O2S/c15-11-14(6-7-14)17-21(19,20)13-8-16-18(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,9H2
InChIKeyANHRRFWQGSBJCL-UHFFFAOYSA-N
XLogP1.27
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide (CID 71909646) is 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide is N#CC1(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide?
The InChIKey is ANHRRFWQGSBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-11-14(6-7-14)17-21(19,20)13-8-16-18(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,9H2.
What are the key properties of 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide?
1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71909646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).