1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

C12H13FN4O2 — CID 51102214

IUPAC1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1cnn(CCO)c1
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)15-12(19)16-11-7-14-17(8-11)4-5-18/h1-3,6-8,18H,4-5H2,(H2,15,16,19)
InChIKeyLPEJVAIUHHIJCA-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 51102214) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID51102214
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1cnn(CCO)c1
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)15-12(19)16-11-7-14-17(8-11)4-5-18/h1-3,6-8,18H,4-5H2,(H2,15,16,19)
InChIKeyLPEJVAIUHHIJCA-UHFFFAOYSA-N
XLogP1.66
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 39854977
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111475578
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea;propanedioic acid
CID 54759634
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447936

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 51102214) is 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is O=C(Nc1cccc(F)c1)Nc1cnn(CCO)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is LPEJVAIUHHIJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)15-12(19)16-11-7-14-17(8-11)4-5-18/h1-3,6-8,18H,4-5H2,(H2,15,16,19).
What are the key properties of 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 264.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 51102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).