1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

C18H25N3O3S — CID 50948945

IUPAC1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C(C)C)nn1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H25N3O3S/c1-6-15(13-7-9-14(10-8-13)25(5,23)24)19-18(22)17-11-16(12(2)3)20-21(17)4/h7-12,15H,6H2,1-5H3,(H,19,22)
InChIKeyHXYTYHXCPYJMHZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.83
Rot. Bonds6

About 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50948945) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50948945
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(C(C)C)nn1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H25N3O3S/c1-6-15(13-7-9-14(10-8-13)25(5,23)24)19-18(22)17-11-16(12(2)3)20-21(17)4/h7-12,15H,6H2,1-5H3,(H,19,22)
InChIKeyHXYTYHXCPYJMHZ-UHFFFAOYSA-N
XLogP2.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96582437
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 50948945) is 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is CCC(NC(=O)c1cc(C(C)C)nn1C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is HXYTYHXCPYJMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-6-15(13-7-9-14(10-8-13)25(5,23)24)19-18(22)17-11-16(12(2)3)20-21(17)4/h7-12,15H,6H2,1-5H3,(H,19,22).
What are the key properties of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50948945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).