N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

C14H19N3O3S2 — CID 75398949

IUPACN-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(C(C)C)c2C)c(C)s1
InChIInChI=1S/C14H19N3O3S2/c1-8(2)17-10(4)12(7-15-17)14(18)16-22(19,20)13-6-9(3)21-11(13)5/h6-8H,1-5H3,(H,16,18)
InChIKeyYZVIDNDVGQEQBB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.57
Rot. Bonds4

About N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 75398949) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID75398949
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(C(C)C)c2C)c(C)s1
InChIInChI=1S/C14H19N3O3S2/c1-8(2)17-10(4)12(7-15-17)14(18)16-22(19,20)13-6-9(3)21-11(13)5/h6-8H,1-5H3,(H,16,18)
InChIKeyYZVIDNDVGQEQBB-UHFFFAOYSA-N
XLogP2.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 75398949) is N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1cc(S(=O)(=O)NC(=O)c2cnn(C(C)C)c2C)c(C)s1.
What is the InChIKey of N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YZVIDNDVGQEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-8(2)17-10(4)12(7-15-17)14(18)16-22(19,20)13-6-9(3)21-11(13)5/h6-8H,1-5H3,(H,16,18).
What are the key properties of N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylthiophen-3-yl)sulfonyl-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 75398949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).