4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide

C9H14ClN3O2 — CID 19263455

IUPAC4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCOC)n1
InChIInChI=1S/C9H14ClN3O2/c1-3-13-6-7(10)8(12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyJLAZRUHJWNUQEZ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.93
Rot. Bonds5

About 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 19263455) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID19263455
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCOC)n1
InChIInChI=1S/C9H14ClN3O2/c1-3-13-6-7(10)8(12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyJLAZRUHJWNUQEZ-UHFFFAOYSA-N
XLogP0.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide (CID 19263455) is 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCCOC)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is JLAZRUHJWNUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-3-13-6-7(10)8(12-13)9(14)11-4-5-15-2/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 231.68 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19263455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).