5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one

C15H19N3O2 — CID 106593889

IUPAC5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(NC3CCC(O)CC3)cc2)[nH][nH]1
InChIInChI=1S/C15H19N3O2/c19-13-7-5-12(6-8-13)16-11-3-1-10(2-4-11)14-9-15(20)18-17-14/h1-4,9,12-13,16,19H,5-8H2,(H2,17,18,20)
InChIKeyFVYJPFGTLHTABP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds3

About 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one

5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one (PubChem CID 106593889) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one
PubChem CID106593889
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(NC3CCC(O)CC3)cc2)[nH][nH]1
InChIInChI=1S/C15H19N3O2/c19-13-7-5-12(6-8-13)16-11-3-1-10(2-4-11)14-9-15(20)18-17-14/h1-4,9,12-13,16,19H,5-8H2,(H2,17,18,20)
InChIKeyFVYJPFGTLHTABP-UHFFFAOYSA-N
XLogP2.09
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 43708877
5-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 80705724
5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 62070349
5-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 82823553
4-[(4-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 104966848
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
5-(4-phenylphenyl)-1,2-dihydropyrazol-3-one
CID 1260075
5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 82833702
4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol
CID 102049748
6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 106593973
4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 79201501

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one (CID 106593889) is 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccc(NC3CCC(O)CC3)cc2)[nH][nH]1.
What is the InChIKey of 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is FVYJPFGTLHTABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13-7-5-12(6-8-13)16-11-3-1-10(2-4-11)14-9-15(20)18-17-14/h1-4,9,12-13,16,19H,5-8H2,(H2,17,18,20).
What are the key properties of 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one?
5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 273.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 106593889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).