1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea

C15H19FN4O2 — CID 111435060

IUPAC1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCc1cnn(-c2ccc(NC(=O)NCCC(C)O)cc2F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)19-15(22)17-6-5-11(2)21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUILMYLFFMJDLOC-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.21
Rot. Bonds5

About 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111435060) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111435060
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCc1cnn(-c2ccc(NC(=O)NCCC(C)O)cc2F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)19-15(22)17-6-5-11(2)21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUILMYLFFMJDLOC-UHFFFAOYSA-N
XLogP2.21
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474913
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437782
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623
1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 111474118
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082
3-fluoro-4-(4-methylpyrazol-1-yl)-N-(3-methylsulfonylpropyl)aniline
CID 84587885
3-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylurea
CID 126794238
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794108
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1S)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]acetamide
CID 119796616

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea (CID 111435060) is 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea is Cc1cnn(-c2ccc(NC(=O)NCCC(C)O)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is UILMYLFFMJDLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)19-15(22)17-6-5-11(2)21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea?
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 306.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111435060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).