N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide

C14H26N4O2S — CID 120709837

IUPACN,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C1CCNC1
InChIInChI=1S/C14H26N4O2S/c1-10(2)9-18-12(4)14(11(3)16-18)21(19,20)17(5)13-6-7-15-8-13/h10,13,15H,6-9H2,1-5H3
InChIKeyKPTYRAUILRAFHQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.14
Rot. Bonds5

About N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide

N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide (PubChem CID 120709837) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
PubChem CID120709837
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C1CCNC1
InChIInChI=1S/C14H26N4O2S/c1-10(2)9-18-12(4)14(11(3)16-18)21(19,20)17(5)13-6-7-15-8-13/h10,13,15H,6-9H2,1-5H3
InChIKeyKPTYRAUILRAFHQ-UHFFFAOYSA-N
XLogP1.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide (CID 120709837) is N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C1CCNC1.
What is the InChIKey of N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
The InChIKey is KPTYRAUILRAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-10(2)9-18-12(4)14(11(3)16-18)21(19,20)17(5)13-6-7-15-8-13/h10,13,15H,6-9H2,1-5H3.
What are the key properties of N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide?
N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 120709837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).