1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea

C15H19FN4O2 — CID 111474118

IUPAC1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea
SMILESCc1cnn(-c2ccc(C(C)NC(=O)NCCO)cc2F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)11(2)19-15(22)17-5-6-21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUOJJDZKVLSODJY-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.67
Rot. Bonds5

About 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea

1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 111474118) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea
PubChem CID111474118
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea
SMILESCc1cnn(-c2ccc(C(C)NC(=O)NCCO)cc2F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)11(2)19-15(22)17-5-6-21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUOJJDZKVLSODJY-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
CID 68562357
3-(4-(1H-Pyrazol-4-yl)phenyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 68565003
1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729135
N-{4-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509948
2-{4-[({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-piperidinyl}ethanol
CID 42210143
1-[2-(3-Phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
CID 155539580
N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 10924643
1-Methyl-3-(4-methylphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 17509821
1-[2-(4-Fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 42962126
1-[1-(1,5-Dimethylpyrazol-4-yl)ethyl]-3-(2-fluorophenyl)urea
CID 45811864
1-Propyl-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 45821662
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea (CID 111474118) is 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea is Cc1cnn(-c2ccc(C(C)NC(=O)NCCO)cc2F)c1.
What is the InChIKey of 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is UOJJDZKVLSODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-8-18-20(9-10)14-4-3-12(7-13(14)16)11(2)19-15(22)17-5-6-21/h3-4,7-9,11,21H,5-6H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 306.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]ethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111474118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).