N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide

C19H19BrClN3O3 — CID 19297574

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(Cl)c1OCc1ccc(C(=O)NCCCn2cc(Br)cn2)o1
InChIInChI=1S/C19H19BrClN3O3/c1-13-4-2-5-16(21)18(13)26-12-15-6-7-17(27-15)19(25)22-8-3-9-24-11-14(20)10-23-24/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,22,25)
InChIKeySCIVLDFHLCRLMN-UHFFFAOYSA-N
MW452.74 g/mol
LogP4.60
Rot. Bonds8

About N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide

N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19297574) has the molecular formula C19H19BrClN3O3 and a molecular weight of 452.74 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19297574
Molecular FormulaC19H19BrClN3O3
Molecular Weight452.74 g/mol
Exact Mass451.03
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(Cl)c1OCc1ccc(C(=O)NCCCn2cc(Br)cn2)o1
InChIInChI=1S/C19H19BrClN3O3/c1-13-4-2-5-16(21)18(13)26-12-15-6-7-17(27-15)19(25)22-8-3-9-24-11-14(20)10-23-24/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,22,25)
InChIKeySCIVLDFHLCRLMN-UHFFFAOYSA-N
XLogP4.60
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
5-[(4-acetylphenoxy)methyl]-N-[3-(4-bromopyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297569
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459413
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19297459
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19325796
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19325807
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331115
methyl 4-[[5-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19282861

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (CID 19297574) is N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)NCCCn2cc(Br)cn2)o1.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is SCIVLDFHLCRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3/c1-13-4-2-5-16(21)18(13)26-12-15-6-7-17(27-15)19(25)22-8-3-9-24-11-14(20)10-23-24/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,22,25).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 452.74 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19297574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).