N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide

C9H15N3O2S — CID 71808615

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(C)(=O)=O)cc1C1CC1
InChIInChI=1S/C9H15N3O2S/c1-12-9(7-3-4-7)5-8(11-12)6-10-15(2,13)14/h5,7,10H,3-4,6H2,1-2H3
InChIKeyYSZLTPYPRRUWLG-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.35
Rot. Bonds4

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 71808615) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID71808615
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(C)(=O)=O)cc1C1CC1
InChIInChI=1S/C9H15N3O2S/c1-12-9(7-3-4-7)5-8(11-12)6-10-15(2,13)14/h5,7,10H,3-4,6H2,1-2H3
InChIKeyYSZLTPYPRRUWLG-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide (CID 71808615) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide is Cn1nc(CNS(C)(=O)=O)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is YSZLTPYPRRUWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12-9(7-3-4-7)5-8(11-12)6-10-15(2,13)14/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71808615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).