1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C16H19FN4O3 — CID 136524628

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC2CCOc3ccc(F)cc32)cn1
InChIInChI=1S/C16H19FN4O3/c1-23-7-5-21-10-12(9-18-21)19-16(22)20-14-4-6-24-15-3-2-11(17)8-13(14)15/h2-3,8-10,14H,4-7H2,1H3,(H2,19,20,22)
InChIKeyWEBRFJLLQJKGEO-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.31
Rot. Bonds5

About 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 136524628) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID136524628
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCOCCn1cc(NC(=O)NC2CCOc3ccc(F)cc32)cn1
InChIInChI=1S/C16H19FN4O3/c1-23-7-5-21-10-12(9-18-21)19-16(22)20-14-4-6-24-15-3-2-11(17)8-13(14)15/h2-3,8-10,14H,4-7H2,1H3,(H2,19,20,22)
InChIKeyWEBRFJLLQJKGEO-UHFFFAOYSA-N
XLogP2.31
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 136524628) is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is COCCn1cc(NC(=O)NC2CCOc3ccc(F)cc32)cn1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is WEBRFJLLQJKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-23-7-5-21-10-12(9-18-21)19-16(22)20-14-4-6-24-15-3-2-11(17)8-13(14)15/h2-3,8-10,14H,4-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 334.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 136524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).