1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C20H29N5O2 — CID 60610794

IUPAC1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1cnn(CCCNC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H29N5O2/c1-17-13-23-25(15-17)8-4-7-21-20(26)22-14-18-5-2-3-6-19(18)16-24-9-11-27-12-10-24/h2-3,5-6,13,15H,4,7-12,14,16H2,1H3,(H2,21,22,26)
InChIKeyQDFFZVKXSDERBT-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.91
Rot. Bonds8

About 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 60610794) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID60610794
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1cnn(CCCNC(=O)NCc2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C20H29N5O2/c1-17-13-23-25(15-17)8-4-7-21-20(26)22-14-18-5-2-3-6-19(18)16-24-9-11-27-12-10-24/h2-3,5-6,13,15H,4,7-12,14,16H2,1H3,(H2,21,22,26)
InChIKeyQDFFZVKXSDERBT-UHFFFAOYSA-N
XLogP1.91
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]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

1-ethyl-3-[3-(4-methylpyrazol-1-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374844
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55578136
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 60610484
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 38949763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 60610794) is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is Cc1cnn(CCCNC(=O)NCc2ccccc2CN2CCOCC2)c1.
What is the InChIKey of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is QDFFZVKXSDERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-17-13-23-25(15-17)8-4-7-21-20(26)22-14-18-5-2-3-6-19(18)16-24-9-11-27-12-10-24/h2-3,5-6,13,15H,4,7-12,14,16H2,1H3,(H2,21,22,26).
What are the key properties of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 371.49 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 60610794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).