1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

C22H33N5O2 — CID 86966875

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESCCC(CC)C(CNC(=O)NCc1cccc(-n2cccn2)c1)N1CCOCC1
InChIInChI=1S/C22H33N5O2/c1-3-19(4-2)21(26-11-13-29-14-12-26)17-24-22(28)23-16-18-7-5-8-20(15-18)27-10-6-9-25-27/h5-10,15,19,21H,3-4,11-14,16-17H2,1-2H3,(H2,23,24,28)
InChIKeyHQRZCTSHEUWBFM-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.81
Rot. Bonds9

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 86966875) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
PubChem CID86966875
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESCCC(CC)C(CNC(=O)NCc1cccc(-n2cccn2)c1)N1CCOCC1
InChIInChI=1S/C22H33N5O2/c1-3-19(4-2)21(26-11-13-29-14-12-26)17-24-22(28)23-16-18-7-5-8-20(15-18)27-10-6-9-25-27/h5-10,15,19,21H,3-4,11-14,16-17H2,1-2H3,(H2,23,24,28)
InChIKeyHQRZCTSHEUWBFM-UHFFFAOYSA-N
XLogP2.81
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111936498
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111936499
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111936698
N-[3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide
CID 111936249
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 30710024
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (CID 86966875) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is CCC(CC)C(CNC(=O)NCc1cccc(-n2cccn2)c1)N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is HQRZCTSHEUWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-3-19(4-2)21(26-11-13-29-14-12-26)17-24-22(28)23-16-18-7-5-8-20(15-18)27-10-6-9-25-27/h5-10,15,19,21H,3-4,11-14,16-17H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 399.54 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 86966875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).