5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one

C12H13Cl2N3O — CID 15544994

IUPAC5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)n1[nH]c(N)c(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C12H13Cl2N3O/c1-6(2)17-12(18)10(11(15)16-17)9-7(13)4-3-5-8(9)14/h3-6,16H,15H2,1-2H3
InChIKeyCVNOOQNRWBFVCB-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.31
Rot. Bonds2

About 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one

5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one (PubChem CID 15544994) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one
PubChem CID15544994
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)n1[nH]c(N)c(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C12H13Cl2N3O/c1-6(2)17-12(18)10(11(15)16-17)9-7(13)4-3-5-8(9)14/h3-6,16H,15H2,1-2H3
InChIKeyCVNOOQNRWBFVCB-UHFFFAOYSA-N
XLogP3.31
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105464602
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5-chloro-2-propan-2-yl-1H-indazol-3-one
CID 83805421
(4S)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 97265282
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658
5-amino-4-[(2,3-dichlorophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494891
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 43157336
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 43336246
3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one (CID 15544994) is 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one is CC(C)n1[nH]c(N)c(-c2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is CVNOOQNRWBFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-6(2)17-12(18)10(11(15)16-17)9-7(13)4-3-5-8(9)14/h3-6,16H,15H2,1-2H3.
What are the key properties of 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one?
5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 286.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,6-dichlorophenyl)-2-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 15544994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).