1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea

C20H28N4O3 — CID 126784049

IUPAC1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
SMILESCOCCc1cc(NC(=O)NCc2ccccc2OC2CCCC2)n(C)n1
InChIInChI=1S/C20H28N4O3/c1-24-19(13-16(23-24)11-12-26-2)22-20(25)21-14-15-7-3-6-10-18(15)27-17-8-4-5-9-17/h3,6-7,10,13,17H,4-5,8-9,11-12,14H2,1-2H3,(H2,21,22,25)
InChIKeyLFCLMPZHIAFPKS-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.25
Rot. Bonds8

About 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea

1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea (PubChem CID 126784049) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
PubChem CID126784049
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
SMILESCOCCc1cc(NC(=O)NCc2ccccc2OC2CCCC2)n(C)n1
InChIInChI=1S/C20H28N4O3/c1-24-19(13-16(23-24)11-12-26-2)22-20(25)21-14-15-7-3-6-10-18(15)27-17-8-4-5-9-17/h3,6-7,10,13,17H,4-5,8-9,11-12,14H2,1-2H3,(H2,21,22,25)
InChIKeyLFCLMPZHIAFPKS-UHFFFAOYSA-N
XLogP3.25
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea 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-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865
1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939122
(2R,4aR,8aS)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777228
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
CID 47065616
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 47066182
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
CID 136561160
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea (CID 126784049) is 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea is COCCc1cc(NC(=O)NCc2ccccc2OC2CCCC2)n(C)n1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The InChIKey is LFCLMPZHIAFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-24-19(13-16(23-24)11-12-26-2)22-20(25)21-14-15-7-3-6-10-18(15)27-17-8-4-5-9-17/h3,6-7,10,13,17H,4-5,8-9,11-12,14H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea has a molecular weight of 372.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea is sourced from PubChem (CID 126784049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).