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

C15H19N3O — CID 62070349

IUPAC5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(NCC3CCCC3)cc2)[nH][nH]1
InChIInChI=1S/C15H19N3O/c19-15-9-14(17-18-15)12-5-7-13(8-6-12)16-10-11-3-1-2-4-11/h5-9,11,16H,1-4,10H2,(H2,17,18,19)
InChIKeyPIFXULYCWCIVSM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.97
Rot. Bonds4

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

5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one (PubChem CID 62070349) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
PubChem CID62070349
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(NCC3CCCC3)cc2)[nH][nH]1
InChIInChI=1S/C15H19N3O/c19-15-9-14(17-18-15)12-5-7-13(8-6-12)16-10-11-3-1-2-4-11/h5-9,11,16H,1-4,10H2,(H2,17,18,19)
InChIKeyPIFXULYCWCIVSM-UHFFFAOYSA-N
XLogP2.97
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 82833702
5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 43708921
5-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 82823553
5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 43708877
4-(cyclooctylmethylamino)phenol
CID 53404225
5-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 80705724
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-(cyclohexylmethylamino)-1H-pyridazin-6-one
CID 114391944
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
5-(4-phenylphenyl)-1,2-dihydropyrazol-3-one
CID 1260075
5-[4-(pentan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 43708968

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one (CID 62070349) is 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccc(NCC3CCCC3)cc2)[nH][nH]1.
What is the InChIKey of 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is PIFXULYCWCIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-9-14(17-18-15)12-5-7-13(8-6-12)16-10-11-3-1-2-4-11/h5-9,11,16H,1-4,10H2,(H2,17,18,19).
What are the key properties of 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one?
5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 62070349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).