N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

C18H15F4N3O3 — CID 19332332

IUPACN-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C18H15F4N3O3/c19-12-9-13(20)16(22)17(15(12)21)27-10-11-3-4-14(28-11)18(26)23-5-1-7-25-8-2-6-24-25/h2-4,6,8-9H,1,5,7,10H2,(H,23,26)
InChIKeyDAATXWHKGUNNQX-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.43
Rot. Bonds8

About N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19332332) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19332332
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC NameN-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C18H15F4N3O3/c19-12-9-13(20)16(22)17(15(12)21)27-10-11-3-4-14(28-11)18(26)23-5-1-7-25-8-2-6-24-25/h2-4,6,8-9H,1,5,7,10H2,(H,23,26)
InChIKeyDAATXWHKGUNNQX-UHFFFAOYSA-N
XLogP3.43
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-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

N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19452599
N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368
5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19325807
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19408578
N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457280
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19295513
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19410195

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 19332332) is N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is O=C(NCCCn1cccn1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is DAATXWHKGUNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3/c19-12-9-13(20)16(22)17(15(12)21)27-10-11-3-4-14(28-11)18(26)23-5-1-7-25-8-2-6-24-25/h2-4,6,8-9H,1,5,7,10H2,(H,23,26).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19332332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).