3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide

C18H18FN3O2S — CID 71796920

IUPAC3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H18FN3O2S/c1-18(24,16-4-3-9-25-16)11-20-17(23)15-10-14(21-22(15)2)12-5-7-13(19)8-6-12/h3-10,24H,11H2,1-2H3,(H,20,23)
InChIKeyZSHUKLMJGMHKKN-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.93
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 71796920) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide
PubChem CID71796920
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H18FN3O2S/c1-18(24,16-4-3-9-25-16)11-20-17(23)15-10-14(21-22(15)2)12-5-7-13(19)8-6-12/h3-10,24H,11H2,1-2H3,(H,20,23)
InChIKeyZSHUKLMJGMHKKN-UHFFFAOYSA-N
XLogP2.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide (CID 71796920) is 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZSHUKLMJGMHKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-18(24,16-4-3-9-25-16)11-20-17(23)15-10-14(21-22(15)2)12-5-7-13(19)8-6-12/h3-10,24H,11H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71796920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).