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

C13H21N3O — CID 19294730

IUPACN-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCCn1nccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)10-14-13(17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17)
InChIKeyHQYMLJOBOLQRQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds4

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

N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 19294730) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID19294730
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCCn1nccc1CNC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)10-14-13(17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17)
InChIKeyHQYMLJOBOLQRQT-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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]cyclohexanecarboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide (CID 19294730) is N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide is CCn1nccc1CNC(=O)C1CCCCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is HQYMLJOBOLQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)10-14-13(17)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.10, 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]cyclohexanecarboxamide is sourced from PubChem (CID 19294730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).