3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one

C12H13ClN2O — CID 67712168

IUPAC3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1C(=O)NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-2-3-10-11(14-15-12(10)16)8-4-6-9(13)7-5-8/h4-7,10H,2-3H2,1H3,(H,15,16)
InChIKeyVNSOGPVFFGSQEJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.59
Rot. Bonds3

About 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one

3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one (PubChem CID 67712168) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one
PubChem CID67712168
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one
SMILESCCCC1C(=O)NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-2-3-10-11(14-15-12(10)16)8-4-6-9(13)7-5-8/h4-7,10H,2-3H2,1H3,(H,15,16)
InChIKeyVNSOGPVFFGSQEJ-UHFFFAOYSA-N
XLogP2.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 67712107
(4S,5S)-3-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-4-methyl-5-propyl-4,5-dihydro-1H-pyridazin-6-one
CID 67466298
(4R)-4-[(4-chlorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 98044998
4-[4-(4-chlorophenoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 20569961
1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one
CID 21389652
(4R)-3-(4-chlorophenyl)-4-propyl-4,5-dihydrooxazin-6-one
CID 10988748
3-(4-chlorophenyl)-4-propyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175473
(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 1484013
1-[1-(4-chlorophenyl)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115947305
(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 1484007
1-(3,4-difluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945757
1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 64874078

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one (CID 67712168) is 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one is CCCC1C(=O)NN=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one?
The InChIKey is VNSOGPVFFGSQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-3-10-11(14-15-12(10)16)8-4-6-9(13)7-5-8/h4-7,10H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one?
3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one has a molecular weight of 236.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-propyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 67712168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).