N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide

C26H23N3O5 — CID 142548379

IUPACN-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
SMILESCC1=NN(c2cccc(O)c2)C(=O)/C1=C\c1ccc(-c2ccc(O)c(C(=O)NCC3CC3)c2)o1
InChIInChI=1S/C26H23N3O5/c1-15-21(26(33)29(28-15)18-3-2-4-19(30)12-18)13-20-8-10-24(34-20)17-7-9-23(31)22(11-17)25(32)27-14-16-5-6-16/h2-4,7-13,16,30-31H,5-6,14H2,1H3,(H,27,32)/b21-13-
InChIKeySGXYDHRYZMYTGD-BKUYFWCQSA-N
MW457.49 g/mol
LogP4.30
Rot. Bonds6

About N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide

N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide (PubChem CID 142548379) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
PubChem CID142548379
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
SMILESCC1=NN(c2cccc(O)c2)C(=O)/C1=C\c1ccc(-c2ccc(O)c(C(=O)NCC3CC3)c2)o1
InChIInChI=1S/C26H23N3O5/c1-15-21(26(33)29(28-15)18-3-2-4-19(30)12-18)13-20-8-10-24(34-20)17-7-9-23(31)22(11-17)25(32)27-14-16-5-6-16/h2-4,7-13,16,30-31H,5-6,14H2,1H3,(H,27,32)/b21-13-
InChIKeySGXYDHRYZMYTGD-BKUYFWCQSA-N
XLogP4.30
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide 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

2-chloro-N-(cyclopropylmethyl)-5-[5-[(Z)-[1-[3-(3-cyclopropylpropanoyl)phenyl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
CID 158322364
3-[4-[[5-[4-chloro-3-(cyclopropylmethylcarbamoyl)phenyl]furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 150811233
2-methyl-5-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 1000578
2-methyl-5-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 7210965
prop-2-enyl 2-chloro-5-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 50883825
3-[(4E)-4-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 1015879
benzyl 3-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 50885528
3-[5-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 6505392
2-chloro-5-[(4Z)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 5343286
(4E)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 124650791
3-[(4E)-4-[[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 50888185
(4E)-2-(3-chlorophenyl)-4-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-methylpyrazol-3-one
CID 5290943

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide (CID 142548379) is N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide is CC1=NN(c2cccc(O)c2)C(=O)/C1=C\c1ccc(-c2ccc(O)c(C(=O)NCC3CC3)c2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide?
The InChIKey is SGXYDHRYZMYTGD-BKUYFWCQSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-15-21(26(33)29(28-15)18-3-2-4-19(30)12-18)13-20-8-10-24(34-20)17-7-9-23(31)22(11-17)25(32)27-14-16-5-6-16/h2-4,7-13,16,30-31H,5-6,14H2,1H3,(H,27,32)/b21-13-.
What are the key properties of N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide?
N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide has a molecular weight of 457.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-hydroxy-5-[5-[(Z)-[1-(3-hydroxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide is sourced from PubChem (CID 142548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).