acetonitrile;dichloromethane;1H-pyrazole

C6H9Cl2N3 — CID 174826527

IUPACacetonitrile;dichloromethane;1H-pyrazole
SMILESCC#N.ClCCl.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H3N.CH2Cl2/c1-2-4-5-3-1;1-2-3;2-1-3/h1-3H,(H,4,5);1H3;1H2
InChIKeyFTDIELHHCRWBMV-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.36
Rot. Bonds

About acetonitrile;dichloromethane;1H-pyrazole

acetonitrile;dichloromethane;1H-pyrazole (PubChem CID 174826527) has the molecular formula C6H9Cl2N3 and a molecular weight of 194.06 g/mol. Its IUPAC name is acetonitrile;dichloromethane;1H-pyrazole.

Molecular Properties

Compound Nameacetonitrile;dichloromethane;1H-pyrazole
PubChem CID174826527
Molecular FormulaC6H9Cl2N3
Molecular Weight194.06 g/mol
Exact Mass193.02
IUPAC Nameacetonitrile;dichloromethane;1H-pyrazole
SMILESCC#N.ClCCl.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H3N.CH2Cl2/c1-2-4-5-3-1;1-2-3;2-1-3/h1-3H,(H,4,5);1H3;1H2
InChIKeyFTDIELHHCRWBMV-UHFFFAOYSA-N
XLogP2.36
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;dichloromethane;1H-pyrazole?
The IUPAC name of acetonitrile;dichloromethane;1H-pyrazole (CID 174826527) is acetonitrile;dichloromethane;1H-pyrazole.
What is the SMILES notation for acetonitrile;dichloromethane;1H-pyrazole?
The canonical SMILES for acetonitrile;dichloromethane;1H-pyrazole is CC#N.ClCCl.c1cn[nH]c1.
What is the InChIKey of acetonitrile;dichloromethane;1H-pyrazole?
The InChIKey is FTDIELHHCRWBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H3N.CH2Cl2/c1-2-4-5-3-1;1-2-3;2-1-3/h1-3H,(H,4,5);1H3;1H2.
What are the key properties of acetonitrile;dichloromethane;1H-pyrazole?
acetonitrile;dichloromethane;1H-pyrazole has a molecular weight of 194.06 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dichloromethane;1H-pyrazole is sourced from PubChem (CID 174826527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).