N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide

C11H17N3O — CID 35520991

IUPACN-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
SMILESCCn1nccc1CNC(=O)C1CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-10(6-7-13-14)8-12-11(15)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,15)
InChIKeyXXNYHQAMTBNYQV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.32
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide

N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 35520991) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
PubChem CID35520991
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
SMILESCCn1nccc1CNC(=O)C1CCC1
InChIInChI=1S/C11H17N3O/c1-2-14-10(6-7-13-14)8-12-11(15)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,15)
InChIKeyXXNYHQAMTBNYQV-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide (CID 35520991) is N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide is CCn1nccc1CNC(=O)C1CCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is XXNYHQAMTBNYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-10(6-7-13-14)8-12-11(15)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3,(H,12,15).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 35520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).