1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C18H25N5O2 — CID 51084411

IUPAC1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1cccc(C(CNC(=O)NCc2ccn[nH]2)N2CCOCC2)c1
InChIInChI=1S/C18H25N5O2/c1-14-3-2-4-15(11-14)17(23-7-9-25-10-8-23)13-20-18(24)19-12-16-5-6-21-22-16/h2-6,11,17H,7-10,12-13H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyVEIRBVDWIZQNEE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.59
Rot. Bonds6

About 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084411) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084411
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCc1cccc(C(CNC(=O)NCc2ccn[nH]2)N2CCOCC2)c1
InChIInChI=1S/C18H25N5O2/c1-14-3-2-4-15(11-14)17(23-7-9-25-10-8-23)13-20-18(24)19-12-16-5-6-21-22-16/h2-6,11,17H,7-10,12-13H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyVEIRBVDWIZQNEE-UHFFFAOYSA-N
XLogP1.59
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084411) is 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is Cc1cccc(C(CNC(=O)NCc2ccn[nH]2)N2CCOCC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is VEIRBVDWIZQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-3-2-4-15(11-14)17(23-7-9-25-10-8-23)13-20-18(24)19-12-16-5-6-21-22-16/h2-6,11,17H,7-10,12-13H2,1H3,(H,21,22)(H2,19,20,24).
What are the key properties of 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 343.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).