N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide

C18H23F2N3O3S — CID 60611516

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(=O)(=O)CC(C)C
InChIInChI=1S/C18H23F2N3O3S/c1-12(2)11-27(25,26)7-6-17(24)22-18-13(3)9-21-23(18)10-14-8-15(19)4-5-16(14)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,24)
InChIKeyABGVLSDJALHWEO-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.92
Rot. Bonds8

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 60611516) has the molecular formula C18H23F2N3O3S and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide
PubChem CID60611516
Molecular FormulaC18H23F2N3O3S
Molecular Weight399.46 g/mol
Exact Mass399.14
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(=O)(=O)CC(C)C
InChIInChI=1S/C18H23F2N3O3S/c1-12(2)11-27(25,26)7-6-17(24)22-18-13(3)9-21-23(18)10-14-8-15(19)4-5-16(14)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,24)
InChIKeyABGVLSDJALHWEO-UHFFFAOYSA-N
XLogP2.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)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-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide (CID 60611516) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide is Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCS(=O)(=O)CC(C)C.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is ABGVLSDJALHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3S/c1-12(2)11-27(25,26)7-6-17(24)22-18-13(3)9-21-23(18)10-14-8-15(19)4-5-16(14)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 399.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 60611516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).