5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one

C9H8ClN3O — CID 54273790

IUPAC5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one
SMILESNc1cc(=O)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-5,12H,11H2
InChIKeyRLZHZSBSMIULNP-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.40
Rot. Bonds1

About 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one

5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one (PubChem CID 54273790) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one
PubChem CID54273790
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one
SMILESNc1cc(=O)n(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-5,12H,11H2
InChIKeyRLZHZSBSMIULNP-UHFFFAOYSA-N
XLogP1.40
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66021073
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
2-(3-chloro-2-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 83548388
5-amino-2-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-one
CID 20571000
5-acetyl-2-(2-methylphenyl)-1H-pyrazol-3-one
CID 83887056
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde
CID 137000036
(3S)-3-[[2-(2-chlorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2,6-difluorophenyl)propanoic acid
CID 90093255
ethyl 2-(2-chlorophenyl)-4-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 102538236
2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
CID 117123068

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one (CID 54273790) is 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one is Nc1cc(=O)n(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one?
The InChIKey is RLZHZSBSMIULNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-5,12H,11H2.
What are the key properties of 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one?
5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one has a molecular weight of 209.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 54273790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).