1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide

C25H26N4O3 — CID 55967503

IUPAC1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCCn4cccn4)c3)c2C)c1
InChIInChI=1S/C25H26N4O3/c1-18-15-24(19(2)29(18)21-8-5-9-22(17-21)31-3)25(30)27-20-7-4-10-23(16-20)32-14-13-28-12-6-11-26-28/h4-12,15-17H,13-14H2,1-3H3,(H,27,30)
InChIKeyAMGZOCBBWDLJLC-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.63
Rot. Bonds8

About 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide

1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide (PubChem CID 55967503) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
PubChem CID55967503
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCCn4cccn4)c3)c2C)c1
InChIInChI=1S/C25H26N4O3/c1-18-15-24(19(2)29(18)21-8-5-9-22(17-21)31-3)25(30)27-20-7-4-10-23(16-20)32-14-13-28-12-6-11-26-28/h4-12,15-17H,13-14H2,1-3H3,(H,27,30)
InChIKeyAMGZOCBBWDLJLC-UHFFFAOYSA-N
XLogP4.63
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-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-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide
CID 32610122
N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836464
N-[4-(ethylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972355
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55766930
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
CID 55854489
1-(4-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 78901983

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide (CID 55967503) is 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide is COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCCn4cccn4)c3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide?
The InChIKey is AMGZOCBBWDLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-15-24(19(2)29(18)21-8-5-9-22(17-21)31-3)25(30)27-20-7-4-10-23(16-20)32-14-13-28-12-6-11-26-28/h4-12,15-17H,13-14H2,1-3H3,(H,27,30).
What are the key properties of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide?
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 55967503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).