N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide

C11H11ClN4O — CID 1084322

IUPACN-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-2-16-9(5-6-14-16)11(17)15-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyMIQWXOOCLUJALO-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 1084322) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide
PubChem CID1084322
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H11ClN4O/c1-2-16-9(5-6-14-16)11(17)15-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyMIQWXOOCLUJALO-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 N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide (CID 1084322) is N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is MIQWXOOCLUJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-2-16-9(5-6-14-16)11(17)15-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-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 N-(5-chloro-2-pyridinyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 1084322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).