1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea

C18H17FN4O2 — CID 122150700

IUPAC1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)Nc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C18H17FN4O2/c1-11-9-13(24)7-8-15(11)21-18(25)22-16-10-20-23(12(16)2)17-6-4-3-5-14(17)19/h3-10,24H,1-2H3,(H2,21,22,25)
InChIKeyFZZKDCFFHLXWQN-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.98
Rot. Bonds3

About 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea

1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea (PubChem CID 122150700) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
PubChem CID122150700
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)Nc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C18H17FN4O2/c1-11-9-13(24)7-8-15(11)21-18(25)22-16-10-20-23(12(16)2)17-6-4-3-5-14(17)19/h3-10,24H,1-2H3,(H2,21,22,25)
InChIKeyFZZKDCFFHLXWQN-UHFFFAOYSA-N
XLogP3.98
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
5-bromo-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]thiophene-3-carboxamide
CID 99626490
(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 99616440
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 119044099
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
4-(4-fluorophenyl)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1H-pyrrole-3-carboxamide
CID 99581597
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
(2S,3S)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-methyloxane-3-carboxamide
CID 129400162

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea (CID 122150700) is 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea is Cc1cc(O)ccc1NC(=O)Nc1cnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea?
The InChIKey is FZZKDCFFHLXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-9-13(24)7-8-15(11)21-18(25)22-16-10-20-23(12(16)2)17-6-4-3-5-14(17)19/h3-10,24H,1-2H3,(H2,21,22,25).
What are the key properties of 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea?
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea has a molecular weight of 340.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 122150700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).