1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea

C17H23FN4O2 — CID 97444689

IUPAC1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](C)n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C17H23FN4O2/c1-5-24-14-6-7-16(15(18)9-14)20-17(23)19-10-13(4)22-12(3)8-11(2)21-22/h6-9,13H,5,10H2,1-4H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyUOCXWTVZJXNRJS-CYBMUJFWSA-N
MW334.40 g/mol
LogP3.42
Rot. Bonds6

About 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea

1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea (PubChem CID 97444689) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
PubChem CID97444689
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](C)n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C17H23FN4O2/c1-5-24-14-6-7-16(15(18)9-14)20-17(23)19-10-13(4)22-12(3)8-11(2)21-22/h6-9,13H,5,10H2,1-4H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyUOCXWTVZJXNRJS-CYBMUJFWSA-N
XLogP3.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 118793816
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 118762797
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 97436288
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(2-ethoxyphenyl)urea
CID 122265012
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 74247125
1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
CID 47032291
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The IUPAC name of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea (CID 97444689) is 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea is CCOc1ccc(NC(=O)NC[C@@H](C)n2nc(C)cc2C)c(F)c1.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The InChIKey is UOCXWTVZJXNRJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-5-24-14-6-7-16(15(18)9-14)20-17(23)19-10-13(4)22-12(3)8-11(2)21-22/h6-9,13H,5,10H2,1-4H3,(H2,19,20,23)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea?
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea has a molecular weight of 334.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea is sourced from PubChem (CID 97444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).