5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide

C21H24ClN3O4 — CID 19448459

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1
InChIInChI=1S/C21H24ClN3O4/c1-12(17-10-15(27-4)6-8-18(17)28-5)23-21(26)19-9-7-16(29-19)11-25-14(3)20(22)13(2)24-25/h6-10,12H,11H2,1-5H3,(H,23,26)
InChIKeyFKTDGJVMJMEAHF-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.30
Rot. Bonds7

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 19448459) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID19448459
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1
InChIInChI=1S/C21H24ClN3O4/c1-12(17-10-15(27-4)6-8-18(17)28-5)23-21(26)19-9-7-16(29-19)11-25-14(3)20(22)13(2)24-25/h6-10,12H,11H2,1-5H3,(H,23,26)
InChIKeyFKTDGJVMJMEAHF-UHFFFAOYSA-N
XLogP4.30
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-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

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1091794
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19543768
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19537915
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 19448493
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 99646890
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461453
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98334363
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35334274
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19448416

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 19448459) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is FKTDGJVMJMEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-12(17-10-15(27-4)6-8-18(17)28-5)23-21(26)19-9-7-16(29-19)11-25-14(3)20(22)13(2)24-25/h6-10,12H,11H2,1-5H3,(H,23,26).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 417.89 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19448459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).