N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

C24H21ClN4O4 — CID 19415389

IUPACN-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H21ClN4O4/c1-2-29-21(12-13-26-29)23(30)27-17-4-3-5-18(14-17)28-24(31)22-11-10-20(33-22)15-32-19-8-6-16(25)7-9-19/h3-14H,2,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyNSRQYDODAHEPEK-UHFFFAOYSA-N
MW464.91 g/mol
LogP5.23
Rot. Bonds8

About N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19415389) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID19415389
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC NameN-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H21ClN4O4/c1-2-29-21(12-13-26-29)23(30)27-17-4-3-5-18(14-17)28-24(31)22-11-10-20(33-22)15-32-19-8-6-16(25)7-9-19/h3-14H,2,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyNSRQYDODAHEPEK-UHFFFAOYSA-N
XLogP5.23
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-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

N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19452540
2-ethyl-N-[3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19461352
2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19416107
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413411
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450736

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (CID 19415389) is N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is NSRQYDODAHEPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-2-29-21(12-13-26-29)23(30)27-17-4-3-5-18(14-17)28-24(31)22-11-10-20(33-22)15-32-19-8-6-16(25)7-9-19/h3-14H,2,15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19415389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).