4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one

C12H12ClN3O — CID 113363113

IUPAC4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H12ClN3O/c13-8-3-5-9(6-4-8)16-12(17)10(14)11(15-16)7-1-2-7/h3-7,15H,1-2,14H2
InChIKeyDHTSYHGEWRQMAX-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.28
Rot. Bonds2

About 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one

4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one (PubChem CID 113363113) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
PubChem CID113363113
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H12ClN3O/c13-8-3-5-9(6-4-8)16-12(17)10(14)11(15-16)7-1-2-7/h3-7,15H,1-2,14H2
InChIKeyDHTSYHGEWRQMAX-UHFFFAOYSA-N
XLogP2.28
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 103995032
4-amino-2-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-one
CID 103995040
4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
CID 107958698
4-amino-5-cyclopropyl-2-(2,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 103995384
4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
CID 113363195
3-amino-7-chloro-2-[1-(4-chlorophenyl)piperidin-4-yl]-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 156805523
4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
CID 83884734
4-(4-chlorophenyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
CID 76653489
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
CID 105498313
6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
CID 69176196

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one (CID 113363113) is 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one is Nc1c(C2CC2)[nH]n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one?
The InChIKey is DHTSYHGEWRQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-8-3-5-9(6-4-8)16-12(17)10(14)11(15-16)7-1-2-7/h3-7,15H,1-2,14H2.
What are the key properties of 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one?
4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one has a molecular weight of 249.70 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one is sourced from PubChem (CID 113363113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).