1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide

C9H14BrN3O2S — CID 154783218

IUPAC1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESCn1cc(Br)c(CS(=O)(=O)NCC2CC2)n1
InChIInChI=1S/C9H14BrN3O2S/c1-13-5-8(10)9(12-13)6-16(14,15)11-4-7-2-3-7/h5,7,11H,2-4,6H2,1H3
InChIKeyHLBKWKMACHYBQG-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.01
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide

1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide (PubChem CID 154783218) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide
PubChem CID154783218
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESCn1cc(Br)c(CS(=O)(=O)NCC2CC2)n1
InChIInChI=1S/C9H14BrN3O2S/c1-13-5-8(10)9(12-13)6-16(14,15)11-4-7-2-3-7/h5,7,11H,2-4,6H2,1H3
InChIKeyHLBKWKMACHYBQG-UHFFFAOYSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide (CID 154783218) is 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide is Cn1cc(Br)c(CS(=O)(=O)NCC2CC2)n1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The InChIKey is HLBKWKMACHYBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-13-5-8(10)9(12-13)6-16(14,15)11-4-7-2-3-7/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide?
1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide is sourced from PubChem (CID 154783218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).