N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide

C20H27FN4O3S — CID 91913354

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCC1CCCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C20H27FN4O3S/c1-14-17(15(2)24-23-14)12-22-20(26)10-9-16-6-5-11-25(13-16)29(27,28)19-8-4-3-7-18(19)21/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyDVYVYJBNNQFDGB-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.66
Rot. Bonds7

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide (PubChem CID 91913354) has the molecular formula C20H27FN4O3S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide
PubChem CID91913354
Molecular FormulaC20H27FN4O3S
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CCC1CCCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C20H27FN4O3S/c1-14-17(15(2)24-23-14)12-22-20(26)10-9-16-6-5-11-25(13-16)29(27,28)19-8-4-3-7-18(19)21/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyDVYVYJBNNQFDGB-UHFFFAOYSA-N
XLogP2.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide 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 N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide (CID 91913354) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide is Cc1n[nH]c(C)c1CNC(=O)CCC1CCCN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide?
The InChIKey is DVYVYJBNNQFDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3S/c1-14-17(15(2)24-23-14)12-22-20(26)10-9-16-6-5-11-25(13-16)29(27,28)19-8-4-3-7-18(19)21/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]propanamide is sourced from PubChem (CID 91913354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).