3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide

C15H18FN3O3S — CID 146141091

IUPAC3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N(CCO)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O3S/c1-18-15(10-14(17-18)11-5-6-11)23(21,22)19(7-8-20)13-4-2-3-12(16)9-13/h2-4,9-11,20H,5-8H2,1H3
InChIKeyDNTGUPLPZROHLD-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.62
Rot. Bonds6

About 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide

3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 146141091) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID146141091
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N(CCO)c1cccc(F)c1
InChIInChI=1S/C15H18FN3O3S/c1-18-15(10-14(17-18)11-5-6-11)23(21,22)19(7-8-20)13-4-2-3-12(16)9-13/h2-4,9-11,20H,5-8H2,1H3
InChIKeyDNTGUPLPZROHLD-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 2908053
N-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 44117160
N-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 44117144
N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 75436041
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27370917
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27370918
N-(4-fluorophenyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 53596365
1-(3-Fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide
CID 55070719
3-Ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide
CID 55171066
3-Cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride
CID 55191213
2-[(3-Fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide
CID 55219654
3-Cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide
CID 55221973

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide (CID 146141091) is 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide is Cn1nc(C2CC2)cc1S(=O)(=O)N(CCO)c1cccc(F)c1.
What is the InChIKey of 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is DNTGUPLPZROHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-18-15(10-14(17-18)11-5-6-11)23(21,22)19(7-8-20)13-4-2-3-12(16)9-13/h2-4,9-11,20H,5-8H2,1H3.
What are the key properties of 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide?
3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-fluorophenyl)-N-(2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 146141091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).