1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine

C16H13Cl2N3 — CID 43381349

IUPAC1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2Cl)nn1Cc1ccccc1
InChIInChI=1S/C16H13Cl2N3/c17-12-6-7-13(14(18)8-12)15-9-16(19)21(20-15)10-11-4-2-1-3-5-11/h1-9H,10,19H2
InChIKeyCNCPMBJLYPYYMS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.49
Rot. Bonds3

About 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine

1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine (PubChem CID 43381349) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
PubChem CID43381349
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2Cl)nn1Cc1ccccc1
InChIInChI=1S/C16H13Cl2N3/c17-12-6-7-13(14(18)8-12)15-9-16(19)21(20-15)10-11-4-2-1-3-5-11/h1-9H,10,19H2
InChIKeyCNCPMBJLYPYYMS-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
3-(2,4-dichlorophenyl)-1-pyridin-4-ylpyrazol-5-amine
CID 43543157
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276
3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 698991
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1308987
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19335893
2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
CID 62714088
4-amino-2-benzyl-7-chlorophthalazin-1-one
CID 71763827
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine (CID 43381349) is 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2Cl)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine?
The InChIKey is CNCPMBJLYPYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-12-6-7-13(14(18)8-12)15-9-16(19)21(20-15)10-11-4-2-1-3-5-11/h1-9H,10,19H2.
What are the key properties of 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine?
1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine has a molecular weight of 318.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 43381349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).