5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide

C23H21ClN4O3 — CID 60587810

IUPAC5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C2=NN(C(=O)CNc3ccc(Cl)cc3C(N)=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H21ClN4O3/c1-14-4-6-15(7-5-14)19-12-20(21-3-2-10-31-21)28(27-19)22(29)13-26-18-9-8-16(24)11-17(18)23(25)30/h2-11,20,26H,12-13H2,1H3,(H2,25,30)
InChIKeyIDAUSBHBFWBCMT-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.13
Rot. Bonds6

About 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide

5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (PubChem CID 60587810) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
PubChem CID60587810
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C2=NN(C(=O)CNc3ccc(Cl)cc3C(N)=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H21ClN4O3/c1-14-4-6-15(7-5-14)19-12-20(21-3-2-10-31-21)28(27-19)22(29)13-26-18-9-8-16(24)11-17(18)23(25)30/h2-11,20,26H,12-13H2,1H3,(H2,25,30)
InChIKeyIDAUSBHBFWBCMT-UHFFFAOYSA-N
XLogP4.13
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]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-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 46700578
2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 56514406
N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55893349
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650
3-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 55412501
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-ethynylanilino)ethanone
CID 25392249
1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone
CID 100717016
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
6-chloro-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]quinazolin-4-one
CID 41074504
2-(5-fluoro-2-methylanilino)-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 9099787
2-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 7960044
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylphenoxy)ethanone
CID 7788818

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (CID 60587810) is 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is Cc1ccc(C2=NN(C(=O)CNc3ccc(Cl)cc3C(N)=O)C(c3ccco3)C2)cc1.
What is the InChIKey of 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The InChIKey is IDAUSBHBFWBCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14-4-6-15(7-5-14)19-12-20(21-3-2-10-31-21)28(27-19)22(29)13-26-18-9-8-16(24)11-17(18)23(25)30/h2-11,20,26H,12-13H2,1H3,(H2,25,30).
What are the key properties of 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide has a molecular weight of 436.90 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 60587810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).