4-chloro-1-ethylpyrazole-5-carboxamide

C6H8ClN3O — CID 4765163

IUPAC4-chloro-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(N)=O
InChIInChI=1S/C6H8ClN3O/c1-2-10-5(6(8)11)4(7)3-9-10/h3H,2H2,1H3,(H2,8,11)
InChIKeyZHVFEGARGQEOMM-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.66
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-5-carboxamide

4-chloro-1-ethylpyrazole-5-carboxamide (PubChem CID 4765163) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-5-carboxamide
PubChem CID4765163
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name4-chloro-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(N)=O
InChIInChI=1S/C6H8ClN3O/c1-2-10-5(6(8)11)4(7)3-9-10/h3H,2H2,1H3,(H2,8,11)
InChIKeyZHVFEGARGQEOMM-UHFFFAOYSA-N
XLogP0.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethylpyrazole-5-carboxamide (CID 4765163) is 4-chloro-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(N)=O.
What is the InChIKey of 4-chloro-1-ethylpyrazole-5-carboxamide?
The InChIKey is ZHVFEGARGQEOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-2-10-5(6(8)11)4(7)3-9-10/h3H,2H2,1H3,(H2,8,11).
What are the key properties of 4-chloro-1-ethylpyrazole-5-carboxamide?
4-chloro-1-ethylpyrazole-5-carboxamide has a molecular weight of 173.60 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 4765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).