N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine

C12H14Cl2N4 — CID 103569108

IUPACN-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2cc(Cl)c(N)c(Cl)c2)n(C)n1
InChIInChI=1S/C12H14Cl2N4/c1-7-3-11(18(2)17-7)16-6-8-4-9(13)12(15)10(14)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyWKBJQKIJCWWVTH-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.23
Rot. Bonds3

About N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine

N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 103569108) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
PubChem CID103569108
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC NameN-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2cc(Cl)c(N)c(Cl)c2)n(C)n1
InChIInChI=1S/C12H14Cl2N4/c1-7-3-11(18(2)17-7)16-6-8-4-9(13)12(15)10(14)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyWKBJQKIJCWWVTH-UHFFFAOYSA-N
XLogP3.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine (CID 103569108) is N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(NCc2cc(Cl)c(N)c(Cl)c2)n(C)n1.
What is the InChIKey of N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is WKBJQKIJCWWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-7-3-11(18(2)17-7)16-6-8-4-9(13)12(15)10(14)5-8/h3-5,16H,6,15H2,1-2H3.
What are the key properties of N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine?
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 285.18 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 103569108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).