N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H21N5O2S — CID 71808656

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C14H21N5O2S/c1-9-14(10(2)18(3)16-9)22(20,21)15-8-12-7-13(11-5-6-11)19(4)17-12/h7,11,15H,5-6,8H2,1-4H3
InChIKeyXIJITWAPRYKYSK-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.13
Rot. Bonds5

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71808656) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71808656
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C14H21N5O2S/c1-9-14(10(2)18(3)16-9)22(20,21)15-8-12-7-13(11-5-6-11)19(4)17-12/h7,11,15H,5-6,8H2,1-4H3
InChIKeyXIJITWAPRYKYSK-UHFFFAOYSA-N
XLogP1.13
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71808656) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(C2CC2)n(C)n1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XIJITWAPRYKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9-14(10(2)18(3)16-9)22(20,21)15-8-12-7-13(11-5-6-11)19(4)17-12/h7,11,15H,5-6,8H2,1-4H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71808656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).