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

C18H24N4O2 — CID 110017230

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCN(CC1CCCC1O)C(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-21(11-14-9-6-10-16(14)23)18(24)19-15-12-22(2)20-17(15)13-7-4-3-5-8-13/h3-5,7-8,12,14,16,23H,6,9-11H2,1-2H3,(H,19,24)
InChIKeyCEAQMPFGMXKMEY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.71
Rot. Bonds4

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea (PubChem CID 110017230) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
PubChem CID110017230
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCN(CC1CCCC1O)C(=O)Nc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-21(11-14-9-6-10-16(14)23)18(24)19-15-12-22(2)20-17(15)13-7-4-3-5-8-13/h3-5,7-8,12,14,16,23H,6,9-11H2,1-2H3,(H,19,24)
InChIKeyCEAQMPFGMXKMEY-UHFFFAOYSA-N
XLogP2.71
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 110017224
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227
N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 109400408
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017219
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea (CID 110017230) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea is CN(CC1CCCC1O)C(=O)Nc1cn(C)nc1-c1ccccc1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The InChIKey is CEAQMPFGMXKMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(11-14-9-6-10-16(14)23)18(24)19-15-12-22(2)20-17(15)13-7-4-3-5-8-13/h3-5,7-8,12,14,16,23H,6,9-11H2,1-2H3,(H,19,24).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 110017230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).