N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide

C9H15N3O2S — CID 95756264

IUPACN-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CC2)cnn1C
InChIInChI=1S/C9H15N3O2S/c1-7-9(6-10-12(7)2)15(13,14)11-5-8-3-4-8/h6,8,11H,3-5H2,1-2H3
InChIKeyYEOSAWJYLAAQHI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.42
Rot. Bonds4

About N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 95756264) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID95756264
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CC2)cnn1C
InChIInChI=1S/C9H15N3O2S/c1-7-9(6-10-12(7)2)15(13,14)11-5-8-3-4-8/h6,8,11H,3-5H2,1-2H3
InChIKeyYEOSAWJYLAAQHI-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 95756264) is N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC2CC2)cnn1C.
What is the InChIKey of N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is YEOSAWJYLAAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-9(6-10-12(7)2)15(13,14)11-5-8-3-4-8/h6,8,11H,3-5H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 95756264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).