5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C13H16Cl2N4 — CID 66027996

IUPAC5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N4/c1-3-7-19-13(12(16)8(2)18-19)17-10-6-4-5-9(14)11(10)15/h4-6,17H,3,7,16H2,1-2H3
InChIKeyUTBNIWKNUVNUFG-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.23
Rot. Bonds4

About 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027996) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66027996
Molecular FormulaC13H16Cl2N4
Molecular Weight299.20 g/mol
Exact Mass298.08
IUPAC Name5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N4/c1-3-7-19-13(12(16)8(2)18-19)17-10-6-4-5-9(14)11(10)15/h4-6,17H,3,7,16H2,1-2H3
InChIKeyUTBNIWKNUVNUFG-UHFFFAOYSA-N
XLogP4.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine 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

5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
CID 66012854
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
5-(2,3-dichloroanilino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756683
5-N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 65469847
5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 79048395
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 116688551

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 66027996) is 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is UTBNIWKNUVNUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-3-7-19-13(12(16)8(2)18-19)17-10-6-4-5-9(14)11(10)15/h4-6,17H,3,7,16H2,1-2H3.
What are the key properties of 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 299.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).