3-chloro-5-ethyl-1H-pyrazole

C5H7ClN2 — CID 66020536

IUPAC3-chloro-5-ethyl-1H-pyrazole
SMILESCCc1cc(Cl)n[nH]1
InChIInChI=1S/C5H7ClN2/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3,(H,7,8)
InChIKeyQUTMZQGJLFMYKF-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.63
Rot. Bonds1

About 3-chloro-5-ethyl-1H-pyrazole

3-chloro-5-ethyl-1H-pyrazole (PubChem CID 66020536) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 3-chloro-5-ethyl-1H-pyrazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-1H-pyrazole
PubChem CID66020536
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name3-chloro-5-ethyl-1H-pyrazole
SMILESCCc1cc(Cl)n[nH]1
InChIInChI=1S/C5H7ClN2/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3,(H,7,8)
InChIKeyQUTMZQGJLFMYKF-UHFFFAOYSA-N
XLogP1.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-1H-pyrazole?
The IUPAC name of 3-chloro-5-ethyl-1H-pyrazole (CID 66020536) is 3-chloro-5-ethyl-1H-pyrazole.
What is the SMILES notation for 3-chloro-5-ethyl-1H-pyrazole?
The canonical SMILES for 3-chloro-5-ethyl-1H-pyrazole is CCc1cc(Cl)n[nH]1.
What is the InChIKey of 3-chloro-5-ethyl-1H-pyrazole?
The InChIKey is QUTMZQGJLFMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3,(H,7,8).
What are the key properties of 3-chloro-5-ethyl-1H-pyrazole?
3-chloro-5-ethyl-1H-pyrazole has a molecular weight of 130.58 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-1H-pyrazole is sourced from PubChem (CID 66020536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).