3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C15H19FN4O2 — CID 51085394

IUPAC3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19FN4O2/c1-4-22-14-7-12(16)5-6-13(14)18-15(21)19(2)9-11-8-17-20(3)10-11/h5-8,10H,4,9H2,1-3H3,(H,18,21)
InChIKeyHMVGWDINCVAPLS-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.62
Rot. Bonds5

About 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 51085394) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID51085394
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C15H19FN4O2/c1-4-22-14-7-12(16)5-6-13(14)18-15(21)19(2)9-11-8-17-20(3)10-11/h5-8,10H,4,9H2,1-3H3,(H,18,21)
InChIKeyHMVGWDINCVAPLS-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-fluorophenyl)urea
CID 45486732
N-(2-methoxyphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812809
N-Ethyl-5-(1-phenoxyethyl)-1H-pyrazole-1-carboxamide
CID 2764678
(E)-N-(2-aminophenyl)-3-(1-(2-(3,5-difluorophenoxy)ethyl)-1H-pyrazol-4-yl)acrylamide
CID 60198421
(E)-N-(2-aminophenyl)-3-[1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-yl]prop-2-enamide
CID 60198480
(E)-N-(2-amino-4-fluorophenyl)-3-[1-(2-phenoxyethyl)pyrazol-4-yl]prop-2-enamide
CID 60198612
(13E,14E)-34-fluoro-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153459
(13E,14E)-35-fluoro-17-(methylamino)-4-oxa-2,7-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(1,2)-benzenacyclooctaphan-8-one
CID 155153465
1-(2-Ethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)ethyl]-3-methylurea
CID 16028542
1-(4-Ethoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028466
3-(4-Ethoxyphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 16028494
1-(3-Methoxyphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 35285591

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 51085394) is 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CCOc1cc(F)ccc1NC(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is HMVGWDINCVAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-4-22-14-7-12(16)5-6-13(14)18-15(21)19(2)9-11-8-17-20(3)10-11/h5-8,10H,4,9H2,1-3H3,(H,18,21).
What are the key properties of 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 306.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 51085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).