N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide

C25H30ClN5O3 — CID 46294577

IUPACN-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=N\CCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C25H30ClN5O3/c1-15-20(26)8-7-9-21(15)28-25(27-13-12-19-16(2)30-31(4)17(19)3)29-24(32)18-10-11-22(33-5)23(14-18)34-6/h7-11,14H,12-13H2,1-6H3,(H2,27,28,29,32)
InChIKeyRUSAJUAJHBDKEO-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.46
Rot. Bonds7

About N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide

N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide (PubChem CID 46294577) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide
PubChem CID46294577
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC NameN-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=N\CCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C25H30ClN5O3/c1-15-20(26)8-7-9-21(15)28-25(27-13-12-19-16(2)30-31(4)17(19)3)29-24(32)18-10-11-22(33-5)23(14-18)34-6/h7-11,14H,12-13H2,1-6H3,(H2,27,28,29,32)
InChIKeyRUSAJUAJHBDKEO-UHFFFAOYSA-N
XLogP4.46
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide 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

3,4-dimethoxy-N-[N-(2-methoxyphenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293395
N-[N-(2-methoxyphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-4-methylbenzamide
CID 46294666
3,4-dimethoxy-N-[N-(3-methoxyphenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]benzamide
CID 46293386
3-chloro-N-[N-(4-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294611
4-chloro-N-[N-(2,4-dimethylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294581
N-[N'-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-(4-methylphenyl)carbamimidoyl]-3,4-dimethoxybenzamide
CID 46294275
4-fluoro-N-[N-(2-fluorophenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294688
N-[N-(3-chlorophenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294644
N-[N-(3-methoxyphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,5-dimethylbenzamide
CID 46294562
N-[N-(4-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-4-fluorobenzamide
CID 46294802
N-[N-(2,3-dimethylphenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]-4-methoxybenzamide
CID 46293762
N-[N-(3-methoxyphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 46294557

Frequently Asked Questions

What is the IUPAC name of N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide (CID 46294577) is N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/C(=N\CCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)cc1OC.
What is the InChIKey of N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide?
The InChIKey is RUSAJUAJHBDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-15-20(26)8-7-9-21(15)28-25(27-13-12-19-16(2)30-31(4)17(19)3)29-24(32)18-10-11-22(33-5)23(14-18)34-6/h7-11,14H,12-13H2,1-6H3,(H2,27,28,29,32).
What are the key properties of N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide?
N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide has a molecular weight of 484.00 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 46294577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).