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

C17H24N4O2 — CID 111337934

IUPAC1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCCC(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4O2/c1-2-4-16(22)13-19-17(23)18-11-9-14-5-7-15(8-6-14)21-12-3-10-20-21/h3,5-8,10,12,16,22H,2,4,9,11,13H2,1H3,(H2,18,19,23)
InChIKeyXELYCBSGJXJBTF-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.88
Rot. Bonds8

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

1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 111337934) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID111337934
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCCC(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4O2/c1-2-4-16(22)13-19-17(23)18-11-9-14-5-7-15(8-6-14)21-12-3-10-20-21/h3,5-8,10,12,16,22H,2,4,9,11,13H2,1H3,(H2,18,19,23)
InChIKeyXELYCBSGJXJBTF-UHFFFAOYSA-N
XLogP1.88
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
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
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111504349
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
methyl 4-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzoate
CID 111864080
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 111337934) is 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is CCCC(O)CNC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is XELYCBSGJXJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-4-16(22)13-19-17(23)18-11-9-14-5-7-15(8-6-14)21-12-3-10-20-21/h3,5-8,10,12,16,22H,2,4,9,11,13H2,1H3,(H2,18,19,23).
What are the key properties of 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 316.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 111337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).