3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C17H21FN4O2 — CID 109397117

IUPAC3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H21FN4O2/c1-21(10-12-5-4-8-16(12)23)17(24)20-13-9-19-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,23H,4-5,8,10H2,1H3,(H,20,24)
InChIKeyIYNFMKJUSLKGGC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109397117) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109397117
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H21FN4O2/c1-21(10-12-5-4-8-16(12)23)17(24)20-13-9-19-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,23H,4-5,8,10H2,1H3,(H,20,24)
InChIKeyIYNFMKJUSLKGGC-UHFFFAOYSA-N
XLogP2.64
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
CID 109400380
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
CID 109397030
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109397117) is 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)Nc1cnn(-c2ccccc2F)c1.
What is the InChIKey of 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is IYNFMKJUSLKGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21(10-12-5-4-8-16(12)23)17(24)20-13-9-19-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,11-12,16,23H,4-5,8,10H2,1H3,(H,20,24).
What are the key properties of 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 332.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109397117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).