1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea

C14H19N5O2 — CID 51107493

IUPAC1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOCCNc1ccc(CNC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C14H19N5O2/c1-21-7-6-15-12-4-2-11(3-5-12)8-16-14(20)19-13-9-17-18-10-13/h2-5,9-10,15H,6-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeySDOVJCIOUWVXAA-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.79
Rot. Bonds7

About 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea

1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 51107493) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID51107493
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCOCCNc1ccc(CNC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C14H19N5O2/c1-21-7-6-15-12-4-2-11(3-5-12)8-16-14(20)19-13-9-17-18-10-13/h2-5,9-10,15H,6-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeySDOVJCIOUWVXAA-UHFFFAOYSA-N
XLogP1.79
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rock-IN-D2
CID 45380564
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
CID 68562357
1-[(3-aminophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562627
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753
3-(4-(1H-Pyrazol-4-yl)phenyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 68565003
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
1,3-dimethyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729134
1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729135

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea (CID 51107493) is 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea is COCCNc1ccc(CNC(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is SDOVJCIOUWVXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-7-6-15-12-4-2-11(3-5-12)8-16-14(20)19-13-9-17-18-10-13/h2-5,9-10,15H,6-8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea?
1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 51107493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).