1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea

C15H20N4O2 — CID 78874659

IUPAC1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCOCc1ccccc1CNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C15H20N4O2/c1-3-21-11-13-7-5-4-6-12(13)8-16-15(20)18-14-9-17-19(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,20)
InChIKeyMVSWYWDNEAKBKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds6

About 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea

1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 78874659) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID78874659
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCCOCc1ccccc1CNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C15H20N4O2/c1-3-21-11-13-7-5-4-6-12(13)8-16-15(20)18-14-9-17-19(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,20)
InChIKeyMVSWYWDNEAKBKN-UHFFFAOYSA-N
XLogP2.28
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-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

1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741937
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
1-(4-butoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275516
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 37397903
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095436
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 99702276

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea (CID 78874659) is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea is CCOCc1ccccc1CNC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is MVSWYWDNEAKBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-11-13-7-5-4-6-12(13)8-16-15(20)18-14-9-17-19(2)10-14/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea?
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 78874659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).