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

C19H26N4O2 — CID 109397532

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-22(14-16-4-2-5-18(16)24)19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,2,4-5,10,12,14H2,1H3,(H,20,25)
InChIKeyNAGDVVHSRHQKJH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.22
Rot. Bonds6

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 109397532) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID109397532
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-22(14-16-4-2-5-18(16)24)19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,2,4-5,10,12,14H2,1H3,(H,20,25)
InChIKeyNAGDVVHSRHQKJH-UHFFFAOYSA-N
XLogP2.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 71868594
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608922
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 96569194
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 43045641
1-[(1S,3R)-3-(dimethylamino)cyclopentyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 97159323

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 109397532) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is CN(CC1CCCC1O)C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is NAGDVVHSRHQKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(14-16-4-2-5-18(16)24)19(25)20-12-10-15-6-8-17(9-7-15)23-13-3-11-21-23/h3,6-9,11,13,16,18,24H,2,4-5,10,12,14H2,1H3,(H,20,25).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.22, 6 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-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 109397532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).