N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide

C14H17N3O2S — CID 100638984

IUPACN-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccn(Cc2ccccc2)n1)C1CC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,14-6-7-14)15-10-13-8-9-17(16-13)11-12-4-2-1-3-5-12/h1-5,8-9,14-15H,6-7,10-11H2
InChIKeyYDVIERDZTAUAFA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.51
Rot. Bonds6

About N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide

N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide (PubChem CID 100638984) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide
PubChem CID100638984
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccn(Cc2ccccc2)n1)C1CC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,14-6-7-14)15-10-13-8-9-17(16-13)11-12-4-2-1-3-5-12/h1-5,8-9,14-15H,6-7,10-11H2
InChIKeyYDVIERDZTAUAFA-UHFFFAOYSA-N
XLogP1.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide (CID 100638984) is N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1ccn(Cc2ccccc2)n1)C1CC1.
What is the InChIKey of N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The InChIKey is YDVIERDZTAUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,14-6-7-14)15-10-13-8-9-17(16-13)11-12-4-2-1-3-5-12/h1-5,8-9,14-15H,6-7,10-11H2.
What are the key properties of N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 100638984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).