1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea

C16H19FN4O2 — CID 111107523

IUPAC1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)NC1CCCCC1O
InChIInChI=1S/C16H19FN4O2/c17-11-6-7-14(21-9-3-8-18-21)13(10-11)20-16(23)19-12-4-1-2-5-15(12)22/h3,6-10,12,15,22H,1-2,4-5H2,(H2,19,20,23)
InChIKeyKPXDAGQREVIYJT-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.44
Rot. Bonds3

About 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111107523) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111107523
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)NC1CCCCC1O
InChIInChI=1S/C16H19FN4O2/c17-11-6-7-14(21-9-3-8-18-21)13(10-11)20-16(23)19-12-4-1-2-5-15(12)22/h3,6-10,12,15,22H,1-2,4-5H2,(H2,19,20,23)
InChIKeyKPXDAGQREVIYJT-UHFFFAOYSA-N
XLogP2.44
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95615000
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804711
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424921
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea (CID 111107523) is 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea is O=C(Nc1cc(F)ccc1-n1cccn1)NC1CCCCC1O.
What is the InChIKey of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is KPXDAGQREVIYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-11-6-7-14(21-9-3-8-18-21)13(10-11)20-16(23)19-12-4-1-2-5-15(12)22/h3,6-10,12,15,22H,1-2,4-5H2,(H2,19,20,23).
What are the key properties of 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea?
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 318.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111107523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).