N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide

C14H15F2N3O — CID 42686600

IUPACN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccc(F)c(F)c2)n[nH]c1CC
InChIInChI=1S/C14H15F2N3O/c1-3-11-14(17-12(20)4-2)13(19-18-11)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZYMPRORYDXABAU-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.27
Rot. Bonds4

About N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide

N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide (PubChem CID 42686600) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide
PubChem CID42686600
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccc(F)c(F)c2)n[nH]c1CC
InChIInChI=1S/C14H15F2N3O/c1-3-11-14(17-12(20)4-2)13(19-18-11)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZYMPRORYDXABAU-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-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-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide (CID 42686600) is N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide is CCC(=O)Nc1c(-c2ccc(F)c(F)c2)n[nH]c1CC.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide?
The InChIKey is ZYMPRORYDXABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-11-14(17-12(20)4-2)13(19-18-11)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide?
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide has a molecular weight of 279.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).