4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide

C9H14ClN3O — CID 19263348

IUPAC4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-5-11-9(14)8-7(10)6-13(4-2)12-8/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyINDZPIOTOGDWDL-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds4

About 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide

4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 19263348) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID19263348
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-5-11-9(14)8-7(10)6-13(4-2)12-8/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyINDZPIOTOGDWDL-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide (CID 19263348) is 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1Cl.
What is the InChIKey of 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is INDZPIOTOGDWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-5-11-9(14)8-7(10)6-13(4-2)12-8/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide?
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19263348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).