1H-pyrazole;dihydrochloride

C3H6Cl2N2 — CID 22222828

IUPAC1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1cn[nH]c1
InChIInChI=1S/C3H4N2.2ClH/c1-2-4-5-3-1;;/h1-3H,(H,4,5);2*1H
InChIKeyIBTJSZRLEASQPA-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.25
Rot. Bonds

About 1H-pyrazole;dihydrochloride

1H-pyrazole;dihydrochloride (PubChem CID 22222828) has the molecular formula C3H6Cl2N2 and a molecular weight of 141.00 g/mol. Its IUPAC name is 1H-pyrazole;dihydrochloride.

Molecular Properties

Compound Name1H-pyrazole;dihydrochloride
PubChem CID22222828
Molecular FormulaC3H6Cl2N2
Molecular Weight141.00 g/mol
Exact Mass139.99
IUPAC Name1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1cn[nH]c1
InChIInChI=1S/C3H4N2.2ClH/c1-2-4-5-3-1;;/h1-3H,(H,4,5);2*1H
InChIKeyIBTJSZRLEASQPA-UHFFFAOYSA-N
XLogP1.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrazole
CID 1048
3-Iodo-1H-pyrazole
CID 1239830
1H-Pyrazole-5-boronic acid
CID 11251979
3-Chloro-1H-pyrazole
CID 6426710
1H-pyrazol-1-amine
CID 11829352
Pyrazole, 4-amino-, hydrochloride
CID 78034
3-fluoro-1H-pyrazole
CID 15055508
1H-Pyrazole, hydrochloride (1:1)
CID 190350
1H-pyrazol-4-amine dihydrochloride
CID 13348969
Potassium trifluoro(1H-pyrazol-5-yl)borate(1-)
CID 25212877
Pyrazole-d4
CID 71309634
Pyrazolium chloride
CID 67909939

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;dihydrochloride?
The IUPAC name of 1H-pyrazole;dihydrochloride (CID 22222828) is 1H-pyrazole;dihydrochloride.
What is the SMILES notation for 1H-pyrazole;dihydrochloride?
The canonical SMILES for 1H-pyrazole;dihydrochloride is Cl.Cl.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;dihydrochloride?
The InChIKey is IBTJSZRLEASQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2ClH/c1-2-4-5-3-1;;/h1-3H,(H,4,5);2*1H.
What are the key properties of 1H-pyrazole;dihydrochloride?
1H-pyrazole;dihydrochloride has a molecular weight of 141.00 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;dihydrochloride is sourced from PubChem (CID 22222828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).