N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide

C14H17N3O4S — CID 146154385

IUPACN-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H17N3O4S/c1-3-9-21-12-10-17(11-7-5-4-6-8-11)15-13(12)14(18)16-22(2,19)20/h4-8,10H,3,9H2,1-2H3,(H,16,18)
InChIKeyHQQLGZJYFSWEDC-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.35
Rot. Bonds6

About N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide

N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide (PubChem CID 146154385) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
PubChem CID146154385
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C14H17N3O4S/c1-3-9-21-12-10-17(11-7-5-4-6-8-11)15-13(12)14(18)16-22(2,19)20/h4-8,10H,3,9H2,1-2H3,(H,16,18)
InChIKeyHQQLGZJYFSWEDC-UHFFFAOYSA-N
XLogP1.35
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 139013299
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119438563
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119444107
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
CID 42109765

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide?
The IUPAC name of N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide (CID 146154385) is N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccccc2)nc1C(=O)NS(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide?
The InChIKey is HQQLGZJYFSWEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-9-21-12-10-17(11-7-5-4-6-8-11)15-13(12)14(18)16-22(2,19)20/h4-8,10H,3,9H2,1-2H3,(H,16,18).
What are the key properties of N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide?
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 146154385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).