4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide

C11H11ClN4O — CID 892623

IUPAC4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H11ClN4O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyAJDDWFGZTFEOME-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide

4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 892623) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID892623
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H11ClN4O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyAJDDWFGZTFEOME-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide (CID 892623) is 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1ccncc1.
What is the InChIKey of 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is AJDDWFGZTFEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-2-16-10(9(12)7-14-16)11(17)15-8-3-5-13-6-4-8/h3-7H,2H2,1H3,(H,13,15,17).
What are the key properties of 4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide?
4-chloro-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.20, 3 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-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 892623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).