1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea

C18H25N5O2 — CID 72924199

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
SMILESCC(c1ccccc1)n1nccc1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-15(16-5-3-2-4-6-16)23-17(7-8-20-23)21-18(24)19-9-10-22-11-13-25-14-12-22/h2-8,15H,9-14H2,1H3,(H2,19,21,24)
InChIKeyMJQCKBLJQQWSKU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.95
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea

1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea (PubChem CID 72924199) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
PubChem CID72924199
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
SMILESCC(c1ccccc1)n1nccc1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-15(16-5-3-2-4-6-16)23-17(7-8-20-23)21-18(24)19-9-10-22-11-13-25-14-12-22/h2-8,15H,9-14H2,1H3,(H2,19,21,24)
InChIKeyMJQCKBLJQQWSKU-UHFFFAOYSA-N
XLogP1.95
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97283704
1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97275907
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 72933566
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
2-(2-oxopiperidin-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 134707822
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea (CID 72924199) is 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea is CC(c1ccccc1)n1nccc1NC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea?
The InChIKey is MJQCKBLJQQWSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15(16-5-3-2-4-6-16)23-17(7-8-20-23)21-18(24)19-9-10-22-11-13-25-14-12-22/h2-8,15H,9-14H2,1H3,(H2,19,21,24).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 72924199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).