1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea

C15H19FN4O2 — CID 75380143

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea
SMILESCCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H19FN4O2/c1-4-7-22-13-8-11(16)5-6-12(13)17-15(21)18-14-9(2)19-20-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyGENLBCZZBVOLFL-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.60
Rot. Bonds5

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea (PubChem CID 75380143) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea
PubChem CID75380143
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea
SMILESCCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C15H19FN4O2/c1-4-7-22-13-8-11(16)5-6-12(13)17-15(21)18-14-9(2)19-20-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyGENLBCZZBVOLFL-UHFFFAOYSA-N
XLogP3.60
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)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-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea (CID 75380143) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea is CCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea?
The InChIKey is GENLBCZZBVOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-4-7-22-13-8-11(16)5-6-12(13)17-15(21)18-14-9(2)19-20-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea has a molecular weight of 306.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-fluoro-2-propoxyphenyl)urea is sourced from PubChem (CID 75380143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).