N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C14H23N5O2S — CID 84600429

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C14H23N5O2S/c1-8(2)7-19-12(6)13(11(5)17-19)22(20,21)18-14-9(3)10(4)15-16-14/h8H,7H2,1-6H3,(H2,15,16,18)
InChIKeyHVTSUJDJATWJBN-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.30
Rot. Bonds5

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 84600429) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID84600429
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C14H23N5O2S/c1-8(2)7-19-12(6)13(11(5)17-19)22(20,21)18-14-9(3)10(4)15-16-14/h8H,7H2,1-6H3,(H2,15,16,18)
InChIKeyHVTSUJDJATWJBN-UHFFFAOYSA-N
XLogP2.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 84600429) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is HVTSUJDJATWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-8(2)7-19-12(6)13(11(5)17-19)22(20,21)18-14-9(3)10(4)15-16-14/h8H,7H2,1-6H3,(H2,15,16,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 84600429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).