ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate

C16H18FN3O4S — CID 177207661

IUPACethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N(C)S(=O)(=O)C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4S/c1-3-24-16(21)14-10-15(19(2)25(22,23)13-8-9-13)18-20(14)12-6-4-11(17)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyLILGIBFGIIRAGY-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.12
Rot. Bonds6

About ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate

ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate (PubChem CID 177207661) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate
PubChem CID177207661
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Nameethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N(C)S(=O)(=O)C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O4S/c1-3-24-16(21)14-10-15(19(2)25(22,23)13-8-9-13)18-20(14)12-6-4-11(17)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyLILGIBFGIIRAGY-UHFFFAOYSA-N
XLogP2.12
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate (CID 177207661) is ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(N(C)S(=O)(=O)C2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate?
The InChIKey is LILGIBFGIIRAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-3-24-16(21)14-10-15(19(2)25(22,23)13-8-9-13)18-20(14)12-6-4-11(17)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate?
ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 177207661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).