4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H19BrFN3O2 — CID 56564910

IUPAC4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCCOc2ccc(F)cc2)c1Br
InChIInChI=1S/C16H19BrFN3O2/c1-10(2)14-13(17)15(21-20-14)16(22)19-8-3-9-23-12-6-4-11(18)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNMKLINMPZBIRLL-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.63
Rot. Bonds7

About 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564910) has the molecular formula C16H19BrFN3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564910
Molecular FormulaC16H19BrFN3O2
Molecular Weight384.25 g/mol
Exact Mass383.06
IUPAC Name4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCCOc2ccc(F)cc2)c1Br
InChIInChI=1S/C16H19BrFN3O2/c1-10(2)14-13(17)15(21-20-14)16(22)19-8-3-9-23-12-6-4-11(18)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNMKLINMPZBIRLL-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567515
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
4-bromo-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564965
4-bromo-N-[4-(N-methylanilino)butyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567094
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
4-bromo-N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563429
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566997

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564910) is 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCCCOc2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NMKLINMPZBIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O2/c1-10(2)14-13(17)15(21-20-14)16(22)19-8-3-9-23-12-6-4-11(18)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 384.25 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).