1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea

C18H26N4O2 — CID 110017229

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCCCC(CCO)CNC(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C18H26N4O2/c1-3-7-14(10-11-23)12-19-18(24)20-16-13-22(2)21-17(16)15-8-5-4-6-9-15/h4-6,8-9,13-14,23H,3,7,10-12H2,1-2H3,(H2,19,20,24)
InChIKeyDSXRFOHMXZDKNN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.01
Rot. Bonds8

About 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea

1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea (PubChem CID 110017229) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
PubChem CID110017229
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCCCC(CCO)CNC(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C18H26N4O2/c1-3-7-14(10-11-23)12-19-18(24)20-16-13-22(2)21-17(16)15-8-5-4-6-9-15/h4-6,8-9,13-14,23H,3,7,10-12H2,1-2H3,(H2,19,20,24)
InChIKeyDSXRFOHMXZDKNN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017219
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
1-(2-bromo-4-methylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473082
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea (CID 110017229) is 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea is CCCC(CCO)CNC(=O)Nc1cn(C)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The InChIKey is DSXRFOHMXZDKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-7-14(10-11-23)12-19-18(24)20-16-13-22(2)21-17(16)15-8-5-4-6-9-15/h4-6,8-9,13-14,23H,3,7,10-12H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 110017229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).