1-cyclopropylpyrazole;hydrochloride

C6H9ClN2 — CID 138040072

IUPAC1-cyclopropylpyrazole;hydrochloride
SMILESCl.c1cnn(C2CC2)c1
InChIInChI=1S/C6H8N2.ClH/c1-4-7-8(5-1)6-2-3-6;/h1,4-6H,2-3H2;1H
InChIKeyREDZBLWBLUWEES-UHFFFAOYSA-N
MW144.61 g/mol
LogP1.64
Rot. Bonds1

About 1-cyclopropylpyrazole;hydrochloride

1-cyclopropylpyrazole;hydrochloride (PubChem CID 138040072) has the molecular formula C6H9ClN2 and a molecular weight of 144.61 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylpyrazole;hydrochloride
PubChem CID138040072
Molecular FormulaC6H9ClN2
Molecular Weight144.61 g/mol
Exact Mass144.05
IUPAC Name1-cyclopropylpyrazole;hydrochloride
SMILESCl.c1cnn(C2CC2)c1
InChIInChI=1S/C6H8N2.ClH/c1-4-7-8(5-1)6-2-3-6;/h1,4-6H,2-3H2;1H
InChIKeyREDZBLWBLUWEES-UHFFFAOYSA-N
XLogP1.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.61
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;hydrochloride?
The IUPAC name of 1-cyclopropylpyrazole;hydrochloride (CID 138040072) is 1-cyclopropylpyrazole;hydrochloride.
What is the SMILES notation for 1-cyclopropylpyrazole;hydrochloride?
The canonical SMILES for 1-cyclopropylpyrazole;hydrochloride is Cl.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;hydrochloride?
The InChIKey is REDZBLWBLUWEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c1-4-7-8(5-1)6-2-3-6;/h1,4-6H,2-3H2;1H.
What are the key properties of 1-cyclopropylpyrazole;hydrochloride?
1-cyclopropylpyrazole;hydrochloride has a molecular weight of 144.61 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;hydrochloride is sourced from PubChem (CID 138040072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).