methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

C14H14ClNO2 — CID 18871108

IUPACmethyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(Cc2cccc(Cl)c2)c[nH]c1C
InChIInChI=1S/C14H14ClNO2/c1-9-13(14(17)18-2)11(8-16-9)6-10-4-3-5-12(15)7-10/h3-5,7-8,16H,6H2,1-2H3
InChIKeySGHUTDMNQUOTBA-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.35
Rot. Bonds3

About methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 18871108) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
PubChem CID18871108
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Namemethyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(Cc2cccc(Cl)c2)c[nH]c1C
InChIInChI=1S/C14H14ClNO2/c1-9-13(14(17)18-2)11(8-16-9)6-10-4-3-5-12(15)7-10/h3-5,7-8,16H,6H2,1-2H3
InChIKeySGHUTDMNQUOTBA-UHFFFAOYSA-N
XLogP3.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate 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

methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
1-(3-chlorophenyl)propan-2-one
CID 2734097
methyl 5-[[(2S)-1-(3-chlorophenyl)propan-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51950301
methyl 2-oxo-4-[(3-phenylphenyl)methyl]-1H-pyridine-3-carboxylate
CID 90686046
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 159527424
N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112529546
methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 157410943
methyl 3-[(6-hydroxy-1H-indol-3-yl)methyl]benzoate
CID 58138575
[5-[(3-chlorophenyl)methoxy]-2-methoxycarbonyl-4-pyridinyl]boronic acid
CID 131745601
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate (CID 18871108) is methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(Cc2cccc(Cl)c2)c[nH]c1C.
What is the InChIKey of methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is SGHUTDMNQUOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-13(14(17)18-2)11(8-16-9)6-10-4-3-5-12(15)7-10/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 18871108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).