3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide

C22H25FN4O3S2 — CID 71796408

IUPAC3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25FN4O3S2/c1-26-20(15-19(25-26)16-7-9-17(23)10-8-16)22(28)24-12-11-18-5-2-3-13-27(18)32(29,30)21-6-4-14-31-21/h4,6-10,14-15,18H,2-3,5,11-13H2,1H3,(H,24,28)
InChIKeyHMVDTPYOTNZZFM-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.65
Rot. Bonds7

About 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71796408) has the molecular formula C22H25FN4O3S2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71796408
Molecular FormulaC22H25FN4O3S2
Molecular Weight476.60 g/mol
Exact Mass476.14
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H25FN4O3S2/c1-26-20(15-19(25-26)16-7-9-17(23)10-8-16)22(28)24-12-11-18-5-2-3-13-27(18)32(29,30)21-6-4-14-31-21/h4,6-10,14-15,18H,2-3,5,11-13H2,1H3,(H,24,28)
InChIKeyHMVDTPYOTNZZFM-UHFFFAOYSA-N
XLogP3.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide (CID 71796408) is 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCC1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is HMVDTPYOTNZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S2/c1-26-20(15-19(25-26)16-7-9-17(23)10-8-16)22(28)24-12-11-18-5-2-3-13-27(18)32(29,30)21-6-4-14-31-21/h4,6-10,14-15,18H,2-3,5,11-13H2,1H3,(H,24,28).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71796408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).