N,N-dichloroaniline;1H-pyrazole

C9H9Cl2N3 — CID 158331237

IUPACN,N-dichloroaniline;1H-pyrazole
SMILESClN(Cl)c1ccccc1.c1cn[nH]c1
InChIInChI=1S/C6H5Cl2N.C3H4N2/c7-9(8)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5)
InChIKeyGQANZZYZYLBBQC-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.21
Rot. Bonds1

About N,N-dichloroaniline;1H-pyrazole

N,N-dichloroaniline;1H-pyrazole (PubChem CID 158331237) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is N,N-dichloroaniline;1H-pyrazole.

Molecular Properties

Compound NameN,N-dichloroaniline;1H-pyrazole
PubChem CID158331237
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC NameN,N-dichloroaniline;1H-pyrazole
SMILESClN(Cl)c1ccccc1.c1cn[nH]c1
InChIInChI=1S/C6H5Cl2N.C3H4N2/c7-9(8)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5)
InChIKeyGQANZZYZYLBBQC-UHFFFAOYSA-N
XLogP3.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloroaniline;1H-pyrazole?
The IUPAC name of N,N-dichloroaniline;1H-pyrazole (CID 158331237) is N,N-dichloroaniline;1H-pyrazole.
What is the SMILES notation for N,N-dichloroaniline;1H-pyrazole?
The canonical SMILES for N,N-dichloroaniline;1H-pyrazole is ClN(Cl)c1ccccc1.c1cn[nH]c1.
What is the InChIKey of N,N-dichloroaniline;1H-pyrazole?
The InChIKey is GQANZZYZYLBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.C3H4N2/c7-9(8)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5).
What are the key properties of N,N-dichloroaniline;1H-pyrazole?
N,N-dichloroaniline;1H-pyrazole has a molecular weight of 230.10 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloroaniline;1H-pyrazole is sourced from PubChem (CID 158331237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).