1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea

C17H23N5O2 — CID 51084590

IUPAC1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23N5O2/c23-17(18-12-15-6-7-20-21-15)19-13-16(14-4-2-1-3-5-14)22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H,20,21)(H2,18,19,23)
InChIKeyLVZSUGVUUDGLCF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.28
Rot. Bonds6

About 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea

1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084590) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084590
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23N5O2/c23-17(18-12-15-6-7-20-21-15)19-13-16(14-4-2-1-3-5-14)22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H,20,21)(H2,18,19,23)
InChIKeyLVZSUGVUUDGLCF-UHFFFAOYSA-N
XLogP1.28
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084590) is 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is LVZSUGVUUDGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(18-12-15-6-7-20-21-15)19-13-16(14-4-2-1-3-5-14)22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H,20,21)(H2,18,19,23).
What are the key properties of 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 329.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-2-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).