1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C18H26N4O2 — CID 111337933

IUPAC1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCC(C)C(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-3-14(2)17(23)13-20-18(24)19-11-9-15-5-7-16(8-6-15)22-12-4-10-21-22/h4-8,10,12,14,17,23H,3,9,11,13H2,1-2H3,(H2,19,20,24)
InChIKeyIFIWPHGSMREZNA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds8

About 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 111337933) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID111337933
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCC(C)C(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-3-14(2)17(23)13-20-18(24)19-11-9-15-5-7-16(8-6-15)22-12-4-10-21-22/h4-8,10,12,14,17,23H,3,9,11,13H2,1-2H3,(H2,19,20,24)
InChIKeyIFIWPHGSMREZNA-UHFFFAOYSA-N
XLogP2.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111504349
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
methyl 4-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzoate
CID 111864080
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 111337933) is 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is CCC(C)C(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is IFIWPHGSMREZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-14(2)17(23)13-20-18(24)19-11-9-15-5-7-16(8-6-15)22-12-4-10-21-22/h4-8,10,12,14,17,23H,3,9,11,13H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 111337933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).