4-chloro-5-ethoxy-1H-pyrazole

C5H7ClN2O — CID 167201043

IUPAC4-chloro-5-ethoxy-1H-pyrazole
SMILESCCOc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2O/c1-2-9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChIKeyAOMJNFPNTQTWCG-UHFFFAOYSA-N
MW146.58 g/mol
LogP1.46
Rot. Bonds2

About 4-chloro-5-ethoxy-1H-pyrazole

4-chloro-5-ethoxy-1H-pyrazole (PubChem CID 167201043) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 4-chloro-5-ethoxy-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-ethoxy-1H-pyrazole
PubChem CID167201043
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name4-chloro-5-ethoxy-1H-pyrazole
SMILESCCOc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2O/c1-2-9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChIKeyAOMJNFPNTQTWCG-UHFFFAOYSA-N
XLogP1.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethoxy-1H-pyrazole?
The IUPAC name of 4-chloro-5-ethoxy-1H-pyrazole (CID 167201043) is 4-chloro-5-ethoxy-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-ethoxy-1H-pyrazole?
The canonical SMILES for 4-chloro-5-ethoxy-1H-pyrazole is CCOc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-ethoxy-1H-pyrazole?
The InChIKey is AOMJNFPNTQTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-2-9-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8).
What are the key properties of 4-chloro-5-ethoxy-1H-pyrazole?
4-chloro-5-ethoxy-1H-pyrazole has a molecular weight of 146.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethoxy-1H-pyrazole is sourced from PubChem (CID 167201043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).