1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea

C22H23FN4O3 — CID 90169130

IUPAC1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)NC2CCOc3cc(F)ccc32)c1C
InChIInChI=1S/C22H23FN4O3/c1-3-29-21-14(2)20(27(26-21)16-7-5-4-6-8-16)25-22(28)24-18-11-12-30-19-13-15(23)9-10-17(18)19/h4-10,13,18H,3,11-12H2,1-2H3,(H2,24,25,28)
InChIKeyCFJNBUVSOKGWMU-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea

1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 90169130) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID90169130
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
SMILESCCOc1nn(-c2ccccc2)c(NC(=O)NC2CCOc3cc(F)ccc32)c1C
InChIInChI=1S/C22H23FN4O3/c1-3-29-21-14(2)20(27(26-21)16-7-5-4-6-8-16)25-22(28)24-18-11-12-30-19-13-15(23)9-10-17(18)19/h4-10,13,18H,3,11-12H2,1-2H3,(H2,24,25,28)
InChIKeyCFJNBUVSOKGWMU-UHFFFAOYSA-N
XLogP4.36
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea (CID 90169130) is 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea is CCOc1nn(-c2ccccc2)c(NC(=O)NC2CCOc3cc(F)ccc32)c1C.
What is the InChIKey of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is CFJNBUVSOKGWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-3-29-21-14(2)20(27(26-21)16-7-5-4-6-8-16)25-22(28)24-18-11-12-30-19-13-15(23)9-10-17(18)19/h4-10,13,18H,3,11-12H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea?
1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 410.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 90169130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).