1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea

C15H19FN4O2 — CID 99714480

IUPAC1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C15H19FN4O2/c1-15(2,22)10-17-14(21)19-13-7-8-18-20(13)9-11-5-3-4-6-12(11)16/h3-8,22H,9-10H2,1-2H3,(H2,17,19,21)
InChIKeyJMOZMVNHOFXNBV-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea

1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea (PubChem CID 99714480) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
PubChem CID99714480
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CNC(=O)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C15H19FN4O2/c1-15(2,22)10-17-14(21)19-13-7-8-18-20(13)9-11-5-3-4-6-12(11)16/h3-8,22H,9-10H2,1-2H3,(H2,17,19,21)
InChIKeyJMOZMVNHOFXNBV-UHFFFAOYSA-N
XLogP1.96
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 86802352
4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 56802974
1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 97328710
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 86894064
N-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 86955815
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808571
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 86894060
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]methanediol
CID 22224528
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 27832039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea (CID 99714480) is 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea is CC(C)(O)CNC(=O)Nc1ccnn1Cc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is JMOZMVNHOFXNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-15(2,22)10-17-14(21)19-13-7-8-18-20(13)9-11-5-3-4-6-12(11)16/h3-8,22H,9-10H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea?
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 306.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 99714480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).