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

C20H22ClN3O3 — CID 19325796

IUPACN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)o1
InChIInChI=1S/C20H22ClN3O3/c1-14-6-3-4-7-18(14)26-13-16-8-9-19(27-16)20(25)22-10-5-11-24-12-17(21)15(2)23-24/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyKDEKJGFNUAGYTJ-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.15
Rot. Bonds8

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

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19325796) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19325796
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)o1
InChIInChI=1S/C20H22ClN3O3/c1-14-6-3-4-7-18(14)26-13-16-8-9-19(27-16)20(25)22-10-5-11-24-12-17(21)15(2)23-24/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyKDEKJGFNUAGYTJ-UHFFFAOYSA-N
XLogP4.15
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.15
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-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19325807
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19325798
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19325826
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19297574
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19295408
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]furan-2-carboxamide
CID 19330322
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19325796) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)o1.
What is the InChIKey of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is KDEKJGFNUAGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14-6-3-4-7-18(14)26-13-16-8-9-19(27-16)20(25)22-10-5-11-24-12-17(21)15(2)23-24/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19325796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).