N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide

C9H16N4O2S — CID 65418761

IUPACN-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)C1CCNC1
InChIInChI=1S/C9H16N4O2S/c1-13-8(2-5-11-13)6-12-16(14,15)9-3-4-10-7-9/h2,5,9-10,12H,3-4,6-7H2,1H3
InChIKeyRIRKJQPGYZHYOV-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.80
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide

N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 65418761) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID65418761
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)C1CCNC1
InChIInChI=1S/C9H16N4O2S/c1-13-8(2-5-11-13)6-12-16(14,15)9-3-4-10-7-9/h2,5,9-10,12H,3-4,6-7H2,1H3
InChIKeyRIRKJQPGYZHYOV-UHFFFAOYSA-N
XLogP-0.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide (CID 65418761) is N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide is Cn1nccc1CNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is RIRKJQPGYZHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-8(2-5-11-13)6-12-16(14,15)9-3-4-10-7-9/h2,5,9-10,12H,3-4,6-7H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65418761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).