4-chloro-5-ethyl-1H-pyrazole;ethane

C7H13ClN2 — CID 176927046

IUPAC4-chloro-5-ethyl-1H-pyrazole;ethane
SMILESCC.CCc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2.C2H6/c1-2-5-4(6)3-7-8-5;1-2/h3H,2H2,1H3,(H,7,8);1-2H3
InChIKeyQIBYVYVRAXVXAI-UHFFFAOYSA-N
MW160.65 g/mol
LogP2.65
Rot. Bonds1

About 4-chloro-5-ethyl-1H-pyrazole;ethane

4-chloro-5-ethyl-1H-pyrazole;ethane (PubChem CID 176927046) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name4-chloro-5-ethyl-1H-pyrazole;ethane
PubChem CID176927046
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name4-chloro-5-ethyl-1H-pyrazole;ethane
SMILESCC.CCc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2.C2H6/c1-2-5-4(6)3-7-8-5;1-2/h3H,2H2,1H3,(H,7,8);1-2H3
InChIKeyQIBYVYVRAXVXAI-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1H-pyrazole;ethane?
The IUPAC name of 4-chloro-5-ethyl-1H-pyrazole;ethane (CID 176927046) is 4-chloro-5-ethyl-1H-pyrazole;ethane.
What is the SMILES notation for 4-chloro-5-ethyl-1H-pyrazole;ethane?
The canonical SMILES for 4-chloro-5-ethyl-1H-pyrazole;ethane is CC.CCc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1H-pyrazole;ethane?
The InChIKey is QIBYVYVRAXVXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2.C2H6/c1-2-5-4(6)3-7-8-5;1-2/h3H,2H2,1H3,(H,7,8);1-2H3.
What are the key properties of 4-chloro-5-ethyl-1H-pyrazole;ethane?
4-chloro-5-ethyl-1H-pyrazole;ethane has a molecular weight of 160.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1H-pyrazole;ethane is sourced from PubChem (CID 176927046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).