1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

C17H23N3O3S — CID 71935421

IUPAC1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C17H23N3O3S/c1-5-20-16(10-15(19-20)12(2)3)17(21)18-14-8-6-7-13(9-14)11-24(4,22)23/h6-10,12H,5,11H2,1-4H3,(H,18,21)
InChIKeyQBTPPVSDCYPNPF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.82
Rot. Bonds6

About 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 71935421) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID71935421
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C17H23N3O3S/c1-5-20-16(10-15(19-20)12(2)3)17(21)18-14-8-6-7-13(9-14)11-24(4,22)23/h6-10,12H,5,11H2,1-4H3,(H,18,21)
InChIKeyQBTPPVSDCYPNPF-UHFFFAOYSA-N
XLogP2.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
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CID 163663288
(2S)-2-amino-4-methyl-N-[3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119756858
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111102752
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
1-ethyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 39045690
4-bromo-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51128969
3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 71935421) is 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is QBTPPVSDCYPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-20-16(10-15(19-20)12(2)3)17(21)18-14-8-6-7-13(9-14)11-24(4,22)23/h6-10,12H,5,11H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 71935421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).