N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide

C13H21N5O2S — CID 29089958

IUPACN,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H21N5O2S/c1-8-12(11(4)18(6)16-8)7-17(5)21(19,20)13-9(2)14-15-10(13)3/h7H2,1-6H3,(H,14,15)
InChIKeyGSVBEDMEVKZWOQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.20
Rot. Bonds4

About N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 29089958) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID29089958
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H21N5O2S/c1-8-12(11(4)18(6)16-8)7-17(5)21(19,20)13-9(2)14-15-10(13)3/h7H2,1-6H3,(H,14,15)
InChIKeyGSVBEDMEVKZWOQ-UHFFFAOYSA-N
XLogP1.20
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.20
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-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 29089958) is N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is GSVBEDMEVKZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-8-12(11(4)18(6)16-8)7-17(5)21(19,20)13-9(2)14-15-10(13)3/h7H2,1-6H3,(H,14,15).
What are the key properties of N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 29089958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).