1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea

C15H21N5O — CID 61461497

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCNC(C)c1ccc(NC(=O)NCCn2cccn2)cc1
InChIInChI=1S/C15H21N5O/c1-12(16-2)13-4-6-14(7-5-13)19-15(21)17-9-11-20-10-3-8-18-20/h3-8,10,12,16H,9,11H2,1-2H3,(H2,17,19,21)
InChIKeyUPBQJLKJZORSJE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.99
Rot. Bonds6

About 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea

1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 61461497) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
PubChem CID61461497
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCNC(C)c1ccc(NC(=O)NCCn2cccn2)cc1
InChIInChI=1S/C15H21N5O/c1-12(16-2)13-4-6-14(7-5-13)19-15(21)17-9-11-20-10-3-8-18-20/h3-8,10,12,16H,9,11H2,1-2H3,(H2,17,19,21)
InChIKeyUPBQJLKJZORSJE-UHFFFAOYSA-N
XLogP1.99
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 65345773
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea (CID 61461497) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea is CNC(C)c1ccc(NC(=O)NCCn2cccn2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is UPBQJLKJZORSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(16-2)13-4-6-14(7-5-13)19-15(21)17-9-11-20-10-3-8-18-20/h3-8,10,12,16H,9,11H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 287.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 61461497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).